N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide

C23H30N2O3S — CID 46771981

IUPACN-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2C)c1
InChIInChI=1S/C23H30N2O3S/c1-16-10-11-17(2)21(14-16)24-29(27,28)22-15-19(13-12-18(22)3)23(26)25(4)20-8-6-5-7-9-20/h10-15,20,24H,5-9H2,1-4H3
InChIKeyNHRCAOYDMWCCFQ-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.82
Rot. Bonds5

About N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide

N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide (PubChem CID 46771981) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide
PubChem CID46771981
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2C)c1
InChIInChI=1S/C23H30N2O3S/c1-16-10-11-17(2)21(14-16)24-29(27,28)22-15-19(13-12-18(22)3)23(26)25(4)20-8-6-5-7-9-20/h10-15,20,24H,5-9H2,1-4H3
InChIKeyNHRCAOYDMWCCFQ-UHFFFAOYSA-N
XLogP4.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 92685908
N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4530287
3-(cyclopentylsulfamoyl)-N,4-dimethyl-N-piperidin-4-ylbenzamide
CID 119442848
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
N-cyclopentyl-4-(2,4-dimethylphenyl)-N-methylbenzamide
CID 129191408
N-cyclohexyl-3-[(2,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 51274726
N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24658420
N-(4-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3361806
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2233372
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2977769
4-methoxy-N-methyl-N-(4-methylcyclohexyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 27165164

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide?
The IUPAC name of N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide (CID 46771981) is N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide.
What is the SMILES notation for N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide?
The canonical SMILES for N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide is Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2C)c1.
What is the InChIKey of N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide?
The InChIKey is NHRCAOYDMWCCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-16-10-11-17(2)21(14-16)24-29(27,28)22-15-19(13-12-18(22)3)23(26)25(4)20-8-6-5-7-9-20/h10-15,20,24H,5-9H2,1-4H3.
What are the key properties of N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide?
N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide has a molecular weight of 414.57 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 46771981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).