2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide

C147H174Cl6F6N24O24S6 — CID 161017029

IUPAC2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide
SMILESC[C@H](NS(=O)(=O)N1CC1)C(=O)N(c1cccc(F)c1)C(C(=O)NC1CCCCC1)c1ccccc1Cl.C[C@H](NS(=O)(=O)N1CC1)C(=O)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1Cl.C[C@H](NS(=O)(=O)N1CC1)C(=O)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCCC1)c1ccccc1Cl.O=C(NC1CCCCC1)C(c1ccccc1Cl)N(C(=O)CNS(=O)(=O)N1CC1)c1cccc(F)c1.O=C(NC1CCCCC1)[C@@H](c1ccccc1Cl)N(C(=O)CNS(=O)(=O)N1CC1)c1cccc(F)c1.O=C(NC1CCCCC1)[C@H](c1ccccc1Cl)N(C(=O)CNS(=O)(=O)N1CC1)c1cccc(F)c1
InChIInChI=1S/3C25H30ClFN4O4S.3C24H28ClFN4O4S/c3*1-17(29-36(34,35)30-14-15-30)25(33)31(20-11-7-8-18(27)16-20)23(21-12-5-6-13-22(21)26)24(32)28-19-9-3-2-4-10-19;3*25-21-12-5-4-11-20(21)23(24(32)28-18-8-2-1-3-9-18)30(19-10-6-7-17(26)15-19)22(31)16-27-35(33,34)29-13-14-29/h3*5-8,11-13,16-17,19,23,29H,2-4,9-10,14-15H2,1H3,(H,28,32);3*4-7,10-12,15,18,23,27H,1-3,8-9,13-14,16H2,(H,28,32)/t17-,23?;17-,23+;17-,23-;2*23-;/m00010./s1
InChIKeyTXVZXFDWXAJQQU-HRJWZQMOSA-N
MW3180.26 g/mol
LogP20.08
Rot. Bonds54

About 2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide

2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide (PubChem CID 161017029) has the molecular formula C147H174Cl6F6N24O24S6 and a molecular weight of 3180.26 g/mol. Its IUPAC name is 2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide
PubChem CID161017029
Molecular FormulaC147H174Cl6F6N24O24S6
Molecular Weight3180.26 g/mol
Exact Mass3174.95
IUPAC Name2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide
SMILESC[C@H](NS(=O)(=O)N1CC1)C(=O)N(c1cccc(F)c1)C(C(=O)NC1CCCCC1)c1ccccc1Cl.C[C@H](NS(=O)(=O)N1CC1)C(=O)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1Cl.C[C@H](NS(=O)(=O)N1CC1)C(=O)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCCC1)c1ccccc1Cl.O=C(NC1CCCCC1)C(c1ccccc1Cl)N(C(=O)CNS(=O)(=O)N1CC1)c1cccc(F)c1.O=C(NC1CCCCC1)[C@@H](c1ccccc1Cl)N(C(=O)CNS(=O)(=O)N1CC1)c1cccc(F)c1.O=C(NC1CCCCC1)[C@H](c1ccccc1Cl)N(C(=O)CNS(=O)(=O)N1CC1)c1cccc(F)c1
InChIInChI=1S/3C25H30ClFN4O4S.3C24H28ClFN4O4S/c3*1-17(29-36(34,35)30-14-15-30)25(33)31(20-11-7-8-18(27)16-20)23(21-12-5-6-13-22(21)26)24(32)28-19-9-3-2-4-10-19;3*25-21-12-5-4-11-20(21)23(24(32)28-18-8-2-1-3-9-18)30(19-10-6-7-17(26)15-19)22(31)16-27-35(33,34)29-13-14-29/h3*5-8,11-13,16-17,19,23,29H,2-4,9-10,14-15H2,1H3,(H,28,32);3*4-7,10-12,15,18,23,27H,1-3,8-9,13-14,16H2,(H,28,32)/t17-,23?;17-,23+;17-,23-;2*23-;/m00010./s1
InChIKeyTXVZXFDWXAJQQU-HRJWZQMOSA-N
XLogP20.08
TPSA591.54 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds54
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003180.26
LogP ≤ 520.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-[4-[4-[[(2R)-2-(aziridin-1-ylsulfonylamino)propanoyl]-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]amino]-2-fluorophenyl]-2-chlorophenyl]-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide
CID 159431916
[(2S)-1-(N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid
CID 137496903
1-(2-chloroethylsulfamoyl)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 137496877
2-(2-chlorophenyl)-N-cyclohexyl-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-3-fluoroanilino)acetamide
CID 137496984
3-(aziridin-1-ylsulfonylamino)-N-[(1R)-2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 130470358
tert-butyl N-[2-(N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]-N-[(2R)-2-propan-2-ylaziridin-1-yl]sulfonylcarbamate
CID 156686111
N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 71457355
N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)azetidine-3-carboxamide
CID 137496991
2-amino-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)prop-2-enamide
CID 156686109
(2S)-1-[[2-(N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]-sulfinatoamino]-2-methylaziridine
CID 137496953
tert-butyl N-[(2S)-1-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-1-oxopropan-2-yl]carbamate
CID 163746579
(3R)-1-(aziridin-1-ylsulfonyl)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-1-(aziridin-1-ylsulfonyl)-N-[(1R)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 160553412

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide (CID 161017029) is 2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide is C[C@H](NS(=O)(=O)N1CC1)C(=O)N(c1cccc(F)c1)C(C(=O)NC1CCCCC1)c1ccccc1Cl.C[C@H](NS(=O)(=O)N1CC1)C(=O)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1Cl.C[C@H](NS(=O)(=O)N1CC1)C(=O)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCCC1)c1ccccc1Cl.O=C(NC1CCCCC1)C(c1ccccc1Cl)N(C(=O)CNS(=O)(=O)N1CC1)c1cccc(F)c1.O=C(NC1CCCCC1)[C@@H](c1ccccc1Cl)N(C(=O)CNS(=O)(=O)N1CC1)c1cccc(F)c1.O=C(NC1CCCCC1)[C@H](c1ccccc1Cl)N(C(=O)CNS(=O)(=O)N1CC1)c1cccc(F)c1.
What is the InChIKey of 2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide?
The InChIKey is TXVZXFDWXAJQQU-HRJWZQMOSA-N. The full InChI is InChI=1S/3C25H30ClFN4O4S.3C24H28ClFN4O4S/c3*1-17(29-36(34,35)30-14-15-30)25(33)31(20-11-7-8-18(27)16-20)23(21-12-5-6-13-22(21)26)24(32)28-19-9-3-2-4-10-19;3*25-21-12-5-4-11-20(21)23(24(32)28-18-8-2-1-3-9-18)30(19-10-6-7-17(26)15-19)22(31)16-27-35(33,34)29-13-14-29/h3*5-8,11-13,16-17,19,23,29H,2-4,9-10,14-15H2,1H3,(H,28,32);3*4-7,10-12,15,18,23,27H,1-3,8-9,13-14,16H2,(H,28,32)/t17-,23?;17-,23+;17-,23-;2*23-;/m00010./s1.
What are the key properties of 2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide?
2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide has a molecular weight of 3180.26 g/mol, XLogP of 20.08, 54 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2R)-2-(N-[2-(aziridin-1-ylsulfonylamino)acetyl]-3-fluoroanilino)-2-(2-chlorophenyl)-N-cyclohexylacetamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide;(2S)-2-(aziridin-1-ylsulfonylamino)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 161017029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).