3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide

C15H20ClNO2S — CID 104927683

IUPAC3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H20ClNO2S/c16-11-5-7-12(8-6-11)20-10-9-15(19)17-13-3-1-2-4-14(13)18/h5-8,13-14,18H,1-4,9-10H2,(H,17,19)/t13-,14-/m1/s1
InChIKeyXLVIKJICLRVWMV-ZIAGYGMSSA-N
MW313.85 g/mol
LogP3.24
Rot. Bonds5

About 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide (PubChem CID 104927683) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
PubChem CID104927683
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H20ClNO2S/c16-11-5-7-12(8-6-11)20-10-9-15(19)17-13-3-1-2-4-14(13)18/h5-8,13-14,18H,1-4,9-10H2,(H,17,19)/t13-,14-/m1/s1
InChIKeyXLVIKJICLRVWMV-ZIAGYGMSSA-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

N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524
3-(2-fluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)propanamide
CID 62358670
3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 104927361
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 42967430
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783
3-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7919825
3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51203757
3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598283
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide (CID 104927683) is 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide is O=C(CCSc1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
The InChIKey is XLVIKJICLRVWMV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c16-11-5-7-12(8-6-11)20-10-9-15(19)17-13-3-1-2-4-14(13)18/h5-8,13-14,18H,1-4,9-10H2,(H,17,19)/t13-,14-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]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 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide is sourced from PubChem (CID 104927683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).