(2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide

C17H24ClNO3S — CID 51946867

IUPAC(2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)[C@@H](C)S(=O)(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClNO3S/c1-12-6-8-16(9-7-12)19-17(20)13(2)23(21,22)11-14-4-3-5-15(18)10-14/h3-5,10,12-13,16H,6-9,11H2,1-2H3,(H,19,20)/t12?,13-,16?/m1/s1
InChIKeyHYWICKPDOHEQSZ-MFOWVQHXSA-N
MW357.90 g/mol
LogP3.34
Rot. Bonds5

About (2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide

(2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide (PubChem CID 51946867) has the molecular formula C17H24ClNO3S and a molecular weight of 357.90 g/mol. Its IUPAC name is (2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide
PubChem CID51946867
Molecular FormulaC17H24ClNO3S
Molecular Weight357.90 g/mol
Exact Mass357.12
IUPAC Name(2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)[C@@H](C)S(=O)(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClNO3S/c1-12-6-8-16(9-7-12)19-17(20)13(2)23(21,22)11-14-4-3-5-15(18)10-14/h3-5,10,12-13,16H,6-9,11H2,1-2H3,(H,19,20)/t12?,13-,16?/m1/s1
InChIKeyHYWICKPDOHEQSZ-MFOWVQHXSA-N
XLogP3.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.90
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
CID 47206565
2-[(3-chlorophenyl)methylsulfonyl]-N-propylpropanamide
CID 47155844
(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 42961403
(2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide
CID 95652956
(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599447
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 42961400
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 92641774

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of (2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide (CID 51946867) is (2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for (2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for (2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide is CC1CCC(NC(=O)[C@@H](C)S(=O)(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide?
The InChIKey is HYWICKPDOHEQSZ-MFOWVQHXSA-N. The full InChI is InChI=1S/C17H24ClNO3S/c1-12-6-8-16(9-7-12)19-17(20)13(2)23(21,22)11-14-4-3-5-15(18)10-14/h3-5,10,12-13,16H,6-9,11H2,1-2H3,(H,19,20)/t12?,13-,16?/m1/s1.
What are the key properties of (2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide?
(2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide has a molecular weight of 357.90 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 51946867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).