2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide

C15H20ClNO2S — CID 111331233

IUPAC2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCC(Sc1ccccc1Cl)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C15H20ClNO2S/c1-11(20-13-7-3-2-6-12(13)16)14(18)17-10-15(19)8-4-5-9-15/h2-3,6-7,11,19H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyPECNONASTYPBLS-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.24
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide

2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide (PubChem CID 111331233) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
PubChem CID111331233
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCC(Sc1ccccc1Cl)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C15H20ClNO2S/c1-11(20-13-7-3-2-6-12(13)16)14(18)17-10-15(19)8-4-5-9-15/h2-3,6-7,11,19H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyPECNONASTYPBLS-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide
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N-[(1-hydroxycyclohexyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
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N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide
CID 111977244
4-[[2-(2-chlorophenyl)sulfanylpropanoylamino]methyl]oxane-4-carboxylic acid
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2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 111433244
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 65105279
2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65105224
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55908762
2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
CID 55831502

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide (CID 111331233) is 2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide is CC(Sc1ccccc1Cl)C(=O)NCC1(O)CCCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is PECNONASTYPBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c1-11(20-13-7-3-2-6-12(13)16)14(18)17-10-15(19)8-4-5-9-15/h2-3,6-7,11,19H,4-5,8-10H2,1H3,(H,17,18).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide?
2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 313.85 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 111331233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).