2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide

C14H17ClN2O2S — CID 2627962

IUPAC2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H17ClN2O2S/c15-10-5-7-12(8-6-10)20-9-13(18)17-14(19)16-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H2,16,17,18,19)
InChIKeyTVMMJEYYJPTKFQ-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.20
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 2627962) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
PubChem CID2627962
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H17ClN2O2S/c15-10-5-7-12(8-6-10)20-9-13(18)17-14(19)16-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H2,16,17,18,19)
InChIKeyTVMMJEYYJPTKFQ-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)thio]-N-cyclopentylpropanamide
CID 875416
N-sec-Butyl-2-(4-chloro-phenylsulfanyl)-acetamide
CID 3139102
3-[(4-chlorophenyl)thio]-N-cyclohexylpropanamide
CID 875307
2-[(4-chlorophenyl)sulfanyl]-N-cyclopentylacetamide
CID 879862
6-Amino-1-butyl-5-((4-chlorophenyl)thio)pyrimidine-2,4(1H,3H)-dione
CID 2379433
3-(4-chlorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 2078300
3-{3-[(4-Chlorophenyl)thio]propyl}-5,5-dimethyl-2,4-imidazolidinedione
CID 2215889
3-{4-[(4-Chlorophenyl)thio]butyl}-5,5-dimethyl-2,4-imidazolidinedione
CID 2215920
2-[(4-chlorophenyl)thio]-N-pentylpropanamide
CID 2954807
2-(4-chlorophenyl)sulfanyl-N-cyclopropylacetamide
CID 881637
N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591620
3-(2-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 36159872

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide (CID 2627962) is 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide is O=C(CSc1ccc(Cl)cc1)NC(=O)NC1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is TVMMJEYYJPTKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c15-10-5-7-12(8-6-10)20-9-13(18)17-14(19)16-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H2,16,17,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 312.82 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 2627962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).