N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide

C22H28N2O3S2 — CID 60608611

IUPACN-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1cc(SC2CCCCC2)ccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C22H28N2O3S2/c1-15-9-10-17(14-21(15)24-29(3,26)27)22(25)23-20-12-11-19(13-16(20)2)28-18-7-5-4-6-8-18/h9-14,18,24H,4-8H2,1-3H3,(H,23,25)
InChIKeyNXDMAPKJFBPKIT-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.35
Rot. Bonds6

About N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide

N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 60608611) has the molecular formula C22H28N2O3S2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID60608611
Molecular FormulaC22H28N2O3S2
Molecular Weight432.61 g/mol
Exact Mass432.15
IUPAC NameN-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1cc(SC2CCCCC2)ccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C22H28N2O3S2/c1-15-9-10-17(14-21(15)24-29(3,26)27)22(25)23-20-12-11-19(13-16(20)2)28-18-7-5-4-6-8-18/h9-14,18,24H,4-8H2,1-3H3,(H,23,25)
InChIKeyNXDMAPKJFBPKIT-UHFFFAOYSA-N
XLogP5.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-cyclohexylsulfanyl-2-methylphenyl)-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

(2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide
CID 52515319
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
(2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride
CID 119309258
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
1-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(3-hydroxypropyl)urea
CID 110911006
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
3-(methanesulfonamido)-4-methyl-N-(3-methyl-4-pyridinyl)benzamide
CID 56803470
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 55582577
4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
CID 120561649
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062523

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide (CID 60608611) is N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide is Cc1cc(SC2CCCCC2)ccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is NXDMAPKJFBPKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S2/c1-15-9-10-17(14-21(15)24-29(3,26)27)22(25)23-20-12-11-19(13-16(20)2)28-18-7-5-4-6-8-18/h9-14,18,24H,4-8H2,1-3H3,(H,23,25).
What are the key properties of N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 432.61 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 60608611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).