3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide

C16H22ClNO2S — CID 62520950

IUPAC3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NC1(CO)CCCCC1
InChIInChI=1S/C16H22ClNO2S/c17-13-4-6-14(7-5-13)21-11-8-15(20)18-16(12-19)9-2-1-3-10-16/h4-7,19H,1-3,8-12H2,(H,18,20)
InChIKeyABDIHGKJYWLDQM-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.63
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide (PubChem CID 62520950) has the molecular formula C16H22ClNO2S and a molecular weight of 327.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
PubChem CID62520950
Molecular FormulaC16H22ClNO2S
Molecular Weight327.88 g/mol
Exact Mass327.11
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NC1(CO)CCCCC1
InChIInChI=1S/C16H22ClNO2S/c17-13-4-6-14(7-5-13)21-11-8-15(20)18-16(12-19)9-2-1-3-10-16/h4-7,19H,1-3,8-12H2,(H,18,20)
InChIKeyABDIHGKJYWLDQM-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclobutyl]butanamide
CID 115877913
2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115877823
1-[3-(4-chlorophenyl)sulfanylpropanoylamino]cyclopropane-1-carboxylic acid
CID 65452594
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518929
2-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522174
3-amino-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62553033
2-[1-[3-(4-methoxyphenyl)sulfanylpropanoylamino]cyclobutyl]acetic acid
CID 119217418
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]cyclopentane-1-carboxylic acid
CID 43351108
3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 55528188
N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119567373
2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522356
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522014

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide (CID 62520950) is 3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide is O=C(CCSc1ccc(Cl)cc1)NC1(CO)CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The InChIKey is ABDIHGKJYWLDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2S/c17-13-4-6-14(7-5-13)21-11-8-15(20)18-16(12-19)9-2-1-3-10-16/h4-7,19H,1-3,8-12H2,(H,18,20).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide has a molecular weight of 327.88 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide is sourced from PubChem (CID 62520950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).