N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C20H21F2N3O5S2 — CID 55349237

IUPACN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H21F2N3O5S2/c21-17-6-5-16(11-18(17)22)32(28,29)24-15-3-1-14(2-4-15)23-19(26)12-31-13-20(27)25-7-9-30-10-8-25/h1-6,11,24H,7-10,12-13H2,(H,23,26)
InChIKeyHIKNODPETWMAAO-UHFFFAOYSA-N
MW485.53 g/mol
LogP2.30
Rot. Bonds8

About N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 55349237) has the molecular formula C20H21F2N3O5S2 and a molecular weight of 485.53 g/mol. Its IUPAC name is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID55349237
Molecular FormulaC20H21F2N3O5S2
Molecular Weight485.53 g/mol
Exact Mass485.09
IUPAC NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H21F2N3O5S2/c21-17-6-5-16(11-18(17)22)32(28,29)24-15-3-1-14(2-4-15)23-19(26)12-31-13-20(27)25-7-9-30-10-8-25/h1-6,11,24H,7-10,12-13H2,(H,23,26)
InChIKeyHIKNODPETWMAAO-UHFFFAOYSA-N
XLogP2.30
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 8892824
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 51549535
N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55329432
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55361465
N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide
CID 55845235
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 24636529
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55337309
N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide
CID 39161773
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 43057701
3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 22203318

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 55349237) is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is O=C(CSCC(=O)N1CCOCC1)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is HIKNODPETWMAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O5S2/c21-17-6-5-16(11-18(17)22)32(28,29)24-15-3-1-14(2-4-15)23-19(26)12-31-13-20(27)25-7-9-30-10-8-25/h1-6,11,24H,7-10,12-13H2,(H,23,26).
What are the key properties of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 485.53 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 55349237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).