2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide

C17H24ClNOS — CID 133235793

IUPAC2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C17H24ClNOS/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-13-6-4-3-5-7-13/h8-11,13,16H,2-7,12H2,1H3,(H,19,20)
InChIKeyLUHDCKRMYWIOGY-UHFFFAOYSA-N
MW325.90 g/mol
LogP4.91
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide

2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide (PubChem CID 133235793) has the molecular formula C17H24ClNOS and a molecular weight of 325.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide
PubChem CID133235793
Molecular FormulaC17H24ClNOS
Molecular Weight325.90 g/mol
Exact Mass325.13
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C17H24ClNOS/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-13-6-4-3-5-7-13/h8-11,13,16H,2-7,12H2,1H3,(H,19,20)
InChIKeyLUHDCKRMYWIOGY-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.90
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 99950366
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide
CID 132762741
N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262938
(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide
CID 93487779
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
CID 94019624
2-(4-chlorophenyl)sulfanyl-N-[2-(3,5-dimethylphenoxy)ethyl]butanamide
CID 133240278
2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
CID 133235781
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
ethyl 2-(4-chlorophenyl)sulfanylbutanoate
CID 11345949
2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166098

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide (CID 133235793) is 2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)NCC1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide?
The InChIKey is LUHDCKRMYWIOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNOS/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-13-6-4-3-5-7-13/h8-11,13,16H,2-7,12H2,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide?
2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide has a molecular weight of 325.90 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide is sourced from PubChem (CID 133235793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).