N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide

C21H28N2O3S — CID 109062723

IUPACN-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H28N2O3S/c1-15(2)14-22-27(25,26)19-8-6-7-16(13-19)20(24)23-18-11-9-17(10-12-18)21(3,4)5/h6-13,15,22H,14H2,1-5H3,(H,23,24)
InChIKeyRZQMHYQZPGYMKC-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.17
Rot. Bonds6

About N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide

N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide (PubChem CID 109062723) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
PubChem CID109062723
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H28N2O3S/c1-15(2)14-22-27(25,26)19-8-6-7-16(13-19)20(24)23-18-11-9-17(10-12-18)21(3,4)5/h6-13,15,22H,14H2,1-5H3,(H,23,24)
InChIKeyRZQMHYQZPGYMKC-UHFFFAOYSA-N
XLogP4.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062704
N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062702
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate
CID 109062752
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
CID 100621284
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 27365149
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
3-(2-methylpropylsulfamoyl)benzenecarbothioamide
CID 24692710

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide (CID 109062723) is N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide is CC(C)CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is RZQMHYQZPGYMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(2)14-22-27(25,26)19-8-6-7-16(13-19)20(24)23-18-11-9-17(10-12-18)21(3,4)5/h6-13,15,22H,14H2,1-5H3,(H,23,24).
What are the key properties of N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 109062723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).