(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide

C16H22ClNOS — CID 7816533

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H22ClNOS/c1-11-5-3-4-6-15(11)18-16(19)12(2)20-14-9-7-13(17)8-10-14/h7-12,15H,3-6H2,1-2H3,(H,18,19)/t11-,12+,15-/m0/s1
InChIKeyRYRXLPNMBAQXSV-ZOWXZIJZSA-N
MW311.88 g/mol
LogP4.52
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide (PubChem CID 7816533) has the molecular formula C16H22ClNOS and a molecular weight of 311.88 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
PubChem CID7816533
Molecular FormulaC16H22ClNOS
Molecular Weight311.88 g/mol
Exact Mass311.11
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H22ClNOS/c1-11-5-3-4-6-15(11)18-16(19)12(2)20-14-9-7-13(17)8-10-14/h7-12,15H,3-6H2,1-2H3,(H,18,19)/t11-,12+,15-/m0/s1
InChIKeyRYRXLPNMBAQXSV-ZOWXZIJZSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 7553892
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119609657
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 98209551
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 112785964
(2S)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 100846391
(2S)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11909554
(2R)-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 7869634
2-(4-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 51073679
2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 112815816
(2S)-N-[(1R,2S)-2-methylcyclohexyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 98309879
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7868015

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide (CID 7816533) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide is C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1C.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is RYRXLPNMBAQXSV-ZOWXZIJZSA-N. The full InChI is InChI=1S/C16H22ClNOS/c1-11-5-3-4-6-15(11)18-16(19)12(2)20-14-9-7-13(17)8-10-14/h7-12,15H,3-6H2,1-2H3,(H,18,19)/t11-,12+,15-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide has a molecular weight of 311.88 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 7816533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).