2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide

C18H24N2O3S — CID 138050387

IUPAC2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C18H24N2O3S/c1-13-5-3-4-6-17(13)20-18(21)14(2)24(22,23)12-16-9-7-15(11-19)8-10-16/h7-10,13-14,17H,3-6,12H2,1-2H3,(H,20,21)
InChIKeyOMHRZYLLQVECNM-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.56
Rot. Bonds5

About 2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide

2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide (PubChem CID 138050387) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
PubChem CID138050387
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C18H24N2O3S/c1-13-5-3-4-6-17(13)20-18(21)14(2)24(22,23)12-16-9-7-15(11-19)8-10-16/h7-10,13-14,17H,3-6,12H2,1-2H3,(H,20,21)
InChIKeyOMHRZYLLQVECNM-UHFFFAOYSA-N
XLogP2.56
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide
CID 51724645
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 9399060
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983930
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
CID 78876876
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7753083
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
4-[1-[(2-methylcyclohexyl)amino]ethyl]benzonitrile
CID 43194954
N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide
CID 106441026
1-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8768879
1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107418691
4-(1-sulfanylethylsulfonylmethyl)benzonitrile
CID 167244875
4-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178854

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide (CID 138050387) is 2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide is CC1CCCCC1NC(=O)C(C)S(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide?
The InChIKey is OMHRZYLLQVECNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-5-3-4-6-17(13)20-18(21)14(2)24(22,23)12-16-9-7-15(11-19)8-10-16/h7-10,13-14,17H,3-6,12H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide?
2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide has a molecular weight of 348.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 138050387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).