N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide

C19H30N2O3S — CID 55582577

IUPACN-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C19H30N2O3S/c1-13-10-11-14(12-17(13)21-25(5,23)24)18(22)20-16-9-7-6-8-15(16)19(2,3)4/h10-12,15-16,21H,6-9H2,1-5H3,(H,20,22)
InChIKeyDATNUYLJFSASSL-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.70
Rot. Bonds4

About N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide

N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 55582577) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID55582577
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C19H30N2O3S/c1-13-10-11-14(12-17(13)21-25(5,23)24)18(22)20-16-9-7-6-8-15(16)19(2,3)4/h10-12,15-16,21H,6-9H2,1-5H3,(H,20,22)
InChIKeyDATNUYLJFSASSL-UHFFFAOYSA-N
XLogP3.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide 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-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 119610619
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
CID 43699383
N-[(1S,2S)-2-tert-butylcyclohexyl]-3-methylsulfonylbenzamide
CID 39634709
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide
CID 68792799
N-(2-tert-butylcyclohexyl)-4-iodobenzamide
CID 63525981
3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
CID 107999351
3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide
CID 136521548
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide (CID 55582577) is N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCC2C(C)(C)C)cc1NS(C)(=O)=O.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is DATNUYLJFSASSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-13-10-11-14(12-17(13)21-25(5,23)24)18(22)20-16-9-7-6-8-15(16)19(2,3)4/h10-12,15-16,21H,6-9H2,1-5H3,(H,20,22).
What are the key properties of N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide?
N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 366.53 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 55582577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).