2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C21H22N2O4S2 — CID 40847013

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C21H22N2O4S2/c24-20-6-3-12-23(20)16-9-7-15(8-10-16)22-21(25)18-4-1-2-5-19(18)28-17-11-13-29(26,27)14-17/h1-2,4-5,7-10,17H,3,6,11-14H2,(H,22,25)/t17-/m0/s1
InChIKeyAROXGOFAMNSEIJ-KRWDZBQOSA-N
MW430.55 g/mol
LogP3.34
Rot. Bonds5

About 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 40847013) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID40847013
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C21H22N2O4S2/c24-20-6-3-12-23(20)16-9-7-15(8-10-16)22-21(25)18-4-1-2-5-19(18)28-17-11-13-29(26,27)14-17/h1-2,4-5,7-10,17H,3,6,11-14H2,(H,22,25)/t17-/m0/s1
InChIKeyAROXGOFAMNSEIJ-KRWDZBQOSA-N
XLogP3.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide 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

N-(4-tert-butylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
CID 9044149
N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
CID 9046567
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 41188393
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 41142434
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(3-phenoxyphenyl)benzamide
CID 25481443
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
N-(5-acetamido-2-fluorophenyl)-2-(1,1-dioxothiolan-3-yl)sulfanylbenzamide
CID 24673847
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(thiophene-2-carbonyl)benzamide
CID 38715443
N-[4-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687294
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589661
cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone
CID 26005518

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 40847013) is 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is AROXGOFAMNSEIJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c24-20-6-3-12-23(20)16-9-7-15(8-10-16)22-21(25)18-4-1-2-5-19(18)28-17-11-13-29(26,27)14-17/h1-2,4-5,7-10,17H,3,6,11-14H2,(H,22,25)/t17-/m0/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 40847013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).