2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide

C19H28ClNOS — CID 11681891

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)SCc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C19H28ClNOS/c1-14(15-9-5-4-6-10-15)21-18(22)19(2,3)23-13-16-11-7-8-12-17(16)20/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyVCYPYNIEECBFHT-AWEZNQCLSA-N
MW353.96 g/mol
LogP5.44
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide

2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide (PubChem CID 11681891) has the molecular formula C19H28ClNOS and a molecular weight of 353.96 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide
PubChem CID11681891
Molecular FormulaC19H28ClNOS
Molecular Weight353.96 g/mol
Exact Mass353.16
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)SCc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C19H28ClNOS/c1-14(15-9-5-4-6-10-15)21-18(22)19(2,3)23-13-16-11-7-8-12-17(16)20/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyVCYPYNIEECBFHT-AWEZNQCLSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.96
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide
CID 11508124
2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 11703484
2-[(2-chlorophenyl)methylsulfanyl]-2-methylpropanoic acid
CID 79015641
N-(1-cyclohexylethyl)-2-(2-hydroxyphenyl)acetamide
CID 79039260
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide
CID 103289605
3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide
CID 115426905
N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide
CID 132619736
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
2-[2-(1-cyclopentylethylamino)-2-oxoethyl]benzoic acid
CID 104601586
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide
CID 81386074

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide (CID 11681891) is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide is C[C@H](NC(=O)C(C)(C)SCc1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide?
The InChIKey is VCYPYNIEECBFHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28ClNOS/c1-14(15-9-5-4-6-10-15)21-18(22)19(2,3)23-13-16-11-7-8-12-17(16)20/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide has a molecular weight of 353.96 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide is sourced from PubChem (CID 11681891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).