N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide

C21H26N2O3S — CID 25115537

IUPACN-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide
SMILESCN(c1ccc(-c2ccccc2)cc1NC(=O)C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C21H26N2O3S/c1-23(27(2,25)26)20-14-13-18(16-9-5-3-6-10-16)15-19(20)22-21(24)17-11-7-4-8-12-17/h3,5-6,9-10,13-15,17H,4,7-8,11-12H2,1-2H3,(H,22,24)
InChIKeyVKDJXXUXMSXEAF-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.27
Rot. Bonds5

About N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide

N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide (PubChem CID 25115537) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide
PubChem CID25115537
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide
SMILESCN(c1ccc(-c2ccccc2)cc1NC(=O)C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C21H26N2O3S/c1-23(27(2,25)26)20-14-13-18(16-9-5-3-6-10-16)15-19(20)22-21(24)17-11-7-4-8-12-17/h3,5-6,9-10,13-15,17H,4,7-8,11-12H2,1-2H3,(H,22,24)
InChIKeyVKDJXXUXMSXEAF-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide
CID 113093111
N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide
CID 56921673
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
(3S)-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]azepane-1-carboxamide
CID 124619545
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-[2-(dimethylamino)-5-fluorophenyl]cyclobutanecarboxamide
CID 113092522
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
1-[2-(cyclohexanecarbonylamino)anilino]ethylidene-dimethylazanium
CID 21440518
2-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 39233266
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
N-(benzenesulfonyl)-3-[3-[3-(cyclohexanecarbonylamino)-4-[methyl(3-methylbutyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 58874888

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide (CID 25115537) is N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide is CN(c1ccc(-c2ccccc2)cc1NC(=O)C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide?
The InChIKey is VKDJXXUXMSXEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-23(27(2,25)26)20-14-13-18(16-9-5-3-6-10-16)15-19(20)22-21(24)17-11-7-4-8-12-17/h3,5-6,9-10,13-15,17H,4,7-8,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide?
N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 25115537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).