2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide

C26H27ClN2O3S2 — CID 21380434

IUPAC2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C26H27ClN2O3S2/c27-20-15-17-23(18-16-20)34(31,32)29(21-9-3-1-4-10-21)19-26(30)28-24-13-7-8-14-25(24)33-22-11-5-2-6-12-22/h2,5-8,11-18,21H,1,3-4,9-10,19H2,(H,28,30)
InChIKeyQZCUBHLVOJSYDU-UHFFFAOYSA-N
MW515.10 g/mol
LogP6.45
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 21380434) has the molecular formula C26H27ClN2O3S2 and a molecular weight of 515.10 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID21380434
Molecular FormulaC26H27ClN2O3S2
Molecular Weight515.10 g/mol
Exact Mass514.12
IUPAC Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C26H27ClN2O3S2/c27-20-15-17-23(18-16-20)34(31,32)29(21-9-3-1-4-10-21)19-26(30)28-24-13-7-8-14-25(24)33-22-11-5-2-6-12-22/h2,5-8,11-18,21H,1,3-4,9-10,19H2,(H,28,30)
InChIKeyQZCUBHLVOJSYDU-UHFFFAOYSA-N
XLogP6.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.10
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide 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

2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide
CID 1002059
N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 21380435
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2,4-difluorophenyl)acetamide
CID 1330856
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543278
2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1331504
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1002076
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[methyl-(1-oxothian-4-yl)amino]acetamide
CID 75534068
2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 25249574
methyl 4-[[2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate
CID 2909473
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 1079970
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2-chlorophenyl)acetamide
CID 2241044

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide (CID 21380434) is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is QZCUBHLVOJSYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3S2/c27-20-15-17-23(18-16-20)34(31,32)29(21-9-3-1-4-10-21)19-26(30)28-24-13-7-8-14-25(24)33-22-11-5-2-6-12-22/h2,5-8,11-18,21H,1,3-4,9-10,19H2,(H,28,30).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 515.10 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 21380434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).