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

C18H26N2O4S — CID 113137489

IUPACN-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(C2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-14(21)15-8-10-16(11-9-15)19-18(22)12-13-20(25(2,23)24)17-6-4-3-5-7-17/h8-11,17H,3-7,12-13H2,1-2H3,(H,19,22)
InChIKeyGLRDZCVEPAHSOZ-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.81
Rot. Bonds7

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

N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide (PubChem CID 113137489) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
PubChem CID113137489
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(C2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-14(21)15-8-10-16(11-9-15)19-18(22)12-13-20(25(2,23)24)17-6-4-3-5-7-17/h8-11,17H,3-7,12-13H2,1-2H3,(H,19,22)
InChIKeyGLRDZCVEPAHSOZ-UHFFFAOYSA-N
XLogP2.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cycloheptyl(methylsulfonyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113141075
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514
3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113137508
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113136395
N-(3-chloro-4-fluorophenyl)-3-[cyclopentyl(methylsulfonyl)amino]propanamide
CID 113137304
2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166396
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
methyl 4-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148971
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide (CID 113137489) is N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide is CC(=O)c1ccc(NC(=O)CCN(C2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The InChIKey is GLRDZCVEPAHSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14(21)15-8-10-16(11-9-15)19-18(22)12-13-20(25(2,23)24)17-6-4-3-5-7-17/h8-11,17H,3-7,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide has a molecular weight of 366.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113137489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).