(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide

C20H21ClN2O2S — CID 94028198

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H21ClN2O2S/c1-2-18(26-17-11-5-14(21)6-12-17)20(25)22-15-7-9-16(10-8-15)23-13-3-4-19(23)24/h5-12,18H,2-4,13H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyHENSSFKWDRSLOS-SFHVURJKSA-N
MW388.92 g/mol
LogP4.98
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide

(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (PubChem CID 94028198) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
PubChem CID94028198
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H21ClN2O2S/c1-2-18(26-17-11-5-14(21)6-12-17)20(25)22-15-7-9-16(10-8-15)23-13-3-4-19(23)24/h5-12,18H,2-4,13H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyHENSSFKWDRSLOS-SFHVURJKSA-N
XLogP4.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide with MolForge

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Related Compounds

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952921
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 65225875
(2S)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 30386688
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 99950957
2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 132665924
2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 43908024
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26908369
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 93487348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (CID 94028198) is (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The InChIKey is HENSSFKWDRSLOS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-2-18(26-17-11-5-14(21)6-12-17)20(25)22-15-7-9-16(10-8-15)23-13-3-4-19(23)24/h5-12,18H,2-4,13H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide has a molecular weight of 388.92 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 94028198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).