(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide

C16H21ClN2O4S — CID 38831458

IUPAC(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
SMILESCC(=O)N[C@H](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O4S/c1-11(20)18-15(12-3-5-13(17)6-4-12)9-16(21)19(2)14-7-8-24(22,23)10-14/h3-6,14-15H,7-10H2,1-2H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyPHFINIZVSLADAH-LSDHHAIUSA-N
MW372.87 g/mol
LogP1.55
Rot. Bonds5

About (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide

(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide (PubChem CID 38831458) has the molecular formula C16H21ClN2O4S and a molecular weight of 372.87 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
PubChem CID38831458
Molecular FormulaC16H21ClN2O4S
Molecular Weight372.87 g/mol
Exact Mass372.09
IUPAC Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
SMILESCC(=O)N[C@H](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O4S/c1-11(20)18-15(12-3-5-13(17)6-4-12)9-16(21)19(2)14-7-8-24(22,23)10-14/h3-6,14-15H,7-10H2,1-2H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyPHFINIZVSLADAH-LSDHHAIUSA-N
XLogP1.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide 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

3-acetamido-N-butyl-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55508109
3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide
CID 134011457
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233
2-(4-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7259855
2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110411899
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
3-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methylurea
CID 94184138
3-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methylurea
CID 94184140
3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553846
2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113172044
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 51972300

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide?
The IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide (CID 38831458) is (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide?
The canonical SMILES for (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide is CC(=O)N[C@H](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide?
The InChIKey is PHFINIZVSLADAH-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H21ClN2O4S/c1-11(20)18-15(12-3-5-13(17)6-4-12)9-16(21)19(2)14-7-8-24(22,23)10-14/h3-6,14-15H,7-10H2,1-2H3,(H,18,20)/t14-,15+/m0/s1.
What are the key properties of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide?
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide has a molecular weight of 372.87 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide is sourced from PubChem (CID 38831458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).