2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C8H9ClN2O2S — CID 7131305

IUPAC2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)NCc1cccs1
InChIInChI=1S/C8H9ClN2O2S/c9-4-7(12)11-8(13)10-5-6-2-1-3-14-6/h1-3H,4-5H2,(H2,10,11,12,13)
InChIKeyGFTJVDPPLMXOTB-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.31
Rot. Bonds3

About 2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 7131305) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID7131305
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)NCc1cccs1
InChIInChI=1S/C8H9ClN2O2S/c9-4-7(12)11-8(13)10-5-6-2-1-3-14-6/h1-3H,4-5H2,(H2,10,11,12,13)
InChIKeyGFTJVDPPLMXOTB-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Thiophen-2-ylmethyl-pyrimidine-2,4,6-trione
CID 650254
2-chloro-N-methyl-N-(thien-2-ylmethyl)acetamide
CID 2543182
2-chloro-N-(1-(thiophen-2-yl)ethyl)acetamide
CID 4961595
2-chloro-N-((thiophen-2-yl)methyl)acetamide
CID 1805993
2-chloro-N-[2-(thiophen-2-yl)ethyl]propanamide
CID 4962340
1,3-Dimethyl-1-[(thiophen-2-YL)methyl]urea
CID 53016462
2-chloro-N-[(thiophen-2-yl)methyl]propanamide
CID 16227001
2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 50987728
3-Ethyl-1-methyl-1-[(thiophen-2-YL)methyl]urea
CID 53016484
2-Chloro-N-(cyano-2-thienylmethyl)acetamide
CID 11378905
1-[N-(2-thienylmethyl)carbamoyl]-5-fluorouracil
CID 20525063
1-(2-Chloroethyl)-3-(2,2,2-trifluoro-1-thiophen-2-ylethyl)urea
CID 54150217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 7131305) is 2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide is O=C(CCl)NC(=O)NCc1cccs1.
What is the InChIKey of 2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is GFTJVDPPLMXOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c9-4-7(12)11-8(13)10-5-6-2-1-3-14-6/h1-3H,4-5H2,(H2,10,11,12,13).
What are the key properties of 2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 232.69 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 7131305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).