2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide

C16H21ClN2O2S — CID 5187487

IUPAC2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(=O)NC(CSc1ccc(Cl)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H21ClN2O2S/c1-11(20)18-15(16(21)19-13-4-2-3-5-13)10-22-14-8-6-12(17)7-9-14/h6-9,13,15H,2-5,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyJNLJCVOVLHHGPO-UHFFFAOYSA-N
MW340.88 g/mol
LogP3.00
Rot. Bonds6

About 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide

2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide (PubChem CID 5187487) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
PubChem CID5187487
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(=O)NC(CSc1ccc(Cl)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H21ClN2O2S/c1-11(20)18-15(16(21)19-13-4-2-3-5-13)10-22-14-8-6-12(17)7-9-14/h6-9,13,15H,2-5,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyJNLJCVOVLHHGPO-UHFFFAOYSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide
CID 3275959
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840887
2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide
CID 5036041
2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 3306259
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-[3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide
CID 3388136
2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide
CID 3275957
2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide
CID 3955378
ethyl 1-[2-acetamido-3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylate
CID 4213260
2-[(4-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 132614825
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
2-acetamido-N-cycloheptyl-3-sulfanylpropanamide
CID 107769078

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide?
The IUPAC name of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide (CID 5187487) is 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide is CC(=O)NC(CSc1ccc(Cl)cc1)C(=O)NC1CCCC1.
What is the InChIKey of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide?
The InChIKey is JNLJCVOVLHHGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c1-11(20)18-15(16(21)19-13-4-2-3-5-13)10-22-14-8-6-12(17)7-9-14/h6-9,13,15H,2-5,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide?
2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide has a molecular weight of 340.88 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide is sourced from PubChem (CID 5187487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).