N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide

C17H23N3O3S — CID 113137514

IUPACN-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1
InChIInChI=1S/C17H23N3O3S/c1-24(22,23)20(16-5-3-2-4-6-16)12-11-17(21)19-15-9-7-14(13-18)8-10-15/h7-10,16H,2-6,11-12H2,1H3,(H,19,21)
InChIKeyMRUOQVOOBBVDMG-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.48
Rot. Bonds6

About N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide

N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide (PubChem CID 113137514) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
PubChem CID113137514
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1
InChIInChI=1S/C17H23N3O3S/c1-24(22,23)20(16-5-3-2-4-6-16)12-11-17(21)19-15-9-7-14(13-18)8-10-15/h7-10,16H,2-6,11-12H2,1H3,(H,19,21)
InChIKeyMRUOQVOOBBVDMG-UHFFFAOYSA-N
XLogP2.48
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
3-[cycloheptyl(methylsulfonyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113141075
N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137489
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082
3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113137508
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113136395
N-(3-chloro-4-fluorophenyl)-3-[cyclopentyl(methylsulfonyl)amino]propanamide
CID 113137304
N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61451516
N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide
CID 107398731
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide (CID 113137514) is N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1.
What is the InChIKey of N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The InChIKey is MRUOQVOOBBVDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-24(22,23)20(16-5-3-2-4-6-16)12-11-17(21)19-15-9-7-14(13-18)8-10-15/h7-10,16H,2-6,11-12H2,1H3,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide has a molecular weight of 349.46 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113137514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).