N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide

C22H28N2O3S — CID 4316019

IUPACN-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2C)c1
InChIInChI=1S/C22H28N2O3S/c1-15-11-16(2)13-20(12-15)24-28(26,27)21-14-18(10-9-17(21)3)22(25)23-19-7-5-4-6-8-19/h9-14,19,24H,4-8H2,1-3H3,(H,23,25)
InChIKeyMIVUWTUMGWKIFK-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.48
Rot. Bonds5

About N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide

N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 4316019) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID4316019
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2C)c1
InChIInChI=1S/C22H28N2O3S/c1-15-11-16(2)13-20(12-15)24-28(26,27)21-14-18(10-9-17(21)3)22(25)23-19-7-5-4-6-8-19/h9-14,19,24H,4-8H2,1-3H3,(H,23,25)
InChIKeyMIVUWTUMGWKIFK-UHFFFAOYSA-N
XLogP4.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46556722
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
CID 55346445
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoate
CID 6957575
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
[2-(cyclopentylamino)-2-oxoethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 42985250
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide (CID 4316019) is N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide is Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2C)c1.
What is the InChIKey of N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is MIVUWTUMGWKIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-15-11-16(2)13-20(12-15)24-28(26,27)21-14-18(10-9-17(21)3)22(25)23-19-7-5-4-6-8-19/h9-14,19,24H,4-8H2,1-3H3,(H,23,25).
What are the key properties of N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 4316019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).