4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide

C20H27N3O3S — CID 13489997

IUPAC4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide
SMILESCCCC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-5-6-15(2)16-7-11-18(12-8-16)21-20(24)17-9-13-19(14-10-17)22-27(25,26)23(3)4/h7-15,22H,5-6H2,1-4H3,(H,21,24)
InChIKeyICDZOORKBDMFFJ-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.06
Rot. Bonds8

About 4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide

4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide (PubChem CID 13489997) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide
PubChem CID13489997
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide
SMILESCCCC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-5-6-15(2)16-7-11-18(12-8-16)21-20(24)17-9-13-19(14-10-17)22-27(25,26)23(3)4/h7-15,22H,5-6H2,1-4H3,(H,21,24)
InChIKeyICDZOORKBDMFFJ-UHFFFAOYSA-N
XLogP4.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 2461107
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
4-[dimethylsulfamoyl(methyl)amino]-N-(4-propan-2-ylphenyl)benzamide
CID 53283134
4-(dimethylsulfamoylamino)benzoic acid
CID 653734
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
4-[4-(propylsulfonylamino)phenyl]pentanoic acid
CID 115420755
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
N-[4-[(2R)-butan-2-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 7935734
4-propan-2-yl-N-(4-propoxyphenyl)benzamide
CID 17177442

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide (CID 13489997) is 4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide is CCCC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide?
The InChIKey is ICDZOORKBDMFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-5-6-15(2)16-7-11-18(12-8-16)21-20(24)17-9-13-19(14-10-17)22-27(25,26)23(3)4/h7-15,22H,5-6H2,1-4H3,(H,21,24).
What are the key properties of 4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide?
4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide has a molecular weight of 389.52 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide is sourced from PubChem (CID 13489997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).