2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide

C9H11ClN2O2S — CID 131008572

IUPAC2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide
SMILESCc1csc(CNC(=O)NC(=O)CCl)c1
InChIInChI=1S/C9H11ClN2O2S/c1-6-2-7(15-5-6)4-11-9(14)12-8(13)3-10/h2,5H,3-4H2,1H3,(H2,11,12,13,14)
InChIKeyLPVWTRSXMMDUGL-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.62
Rot. Bonds3

About 2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide

2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide (PubChem CID 131008572) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide
PubChem CID131008572
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide
SMILESCc1csc(CNC(=O)NC(=O)CCl)c1
InChIInChI=1S/C9H11ClN2O2S/c1-6-2-7(15-5-6)4-11-9(14)12-8(13)3-10/h2,5H,3-4H2,1H3,(H2,11,12,13,14)
InChIKeyLPVWTRSXMMDUGL-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]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

(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide
CID 131107412
1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea
CID 128687498
2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide
CID 106041035
3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide
CID 62057821
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide
CID 61414332
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide
CID 43146267
2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
CID 43146050
2-chloro-N-[(3-methylimidazol-4-yl)methylcarbamoyl]acetamide
CID 130756450
2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide
CID 79049833
1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-[(4-methylthiophen-2-yl)methyl]urea
CID 136574540

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide (CID 131008572) is 2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide is Cc1csc(CNC(=O)NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide?
The InChIKey is LPVWTRSXMMDUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-6-2-7(15-5-6)4-11-9(14)12-8(13)3-10/h2,5H,3-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide?
2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide has a molecular weight of 246.72 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide is sourced from PubChem (CID 131008572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).