N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide

C13H17ClN2O4S — CID 109001681

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCOc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O4S/c1-20-12-3-2-9(6-11(12)14)16-13(17)7-15-10-4-5-21(18,19)8-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyWBVVXMAOQMLRES-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.06
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide (PubChem CID 109001681) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
PubChem CID109001681
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCOc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O4S/c1-20-12-3-2-9(6-11(12)14)16-13(17)7-15-10-4-5-21(18,19)8-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyWBVVXMAOQMLRES-UHFFFAOYSA-N
XLogP1.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]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

N-(3-chloro-4-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9046130
2-(cyclopropylamino)-N-(4-methoxy-3-methylphenyl)acetamide
CID 54964531
1-(3,4-dimethoxyphenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]ethanone
CID 94327694
N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide
CID 43615220
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
1-(3,4-dimethoxyphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 52592483
2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 109001805
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
CID 51721755
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide (CID 109001681) is N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide is COc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The InChIKey is WBVVXMAOQMLRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-20-12-3-2-9(6-11(12)14)16-13(17)7-15-10-4-5-21(18,19)8-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide has a molecular weight of 332.81 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide is sourced from PubChem (CID 109001681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).