N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide

C22H31N3O3S — CID 55535044

IUPACN-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(Nc2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H31N3O3S/c1-5-17(4)25-29(27,28)20-13-11-18(12-14-20)22(26)23-15-21(16(2)3)24-19-9-7-6-8-10-19/h6-14,16-17,21,24-25H,5,15H2,1-4H3,(H,23,26)
InChIKeyWICXCCMJTHEFPW-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.63
Rot. Bonds10

About N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide

N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide (PubChem CID 55535044) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide
PubChem CID55535044
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC NameN-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(Nc2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H31N3O3S/c1-5-17(4)25-29(27,28)20-13-11-18(12-14-20)22(26)23-15-21(16(2)3)24-19-9-7-6-8-10-19/h6-14,16-17,21,24-25H,5,15H2,1-4H3,(H,23,26)
InChIKeyWICXCCMJTHEFPW-UHFFFAOYSA-N
XLogP3.63
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 46522380
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119498659
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
N-(2-anilino-3-methylbutyl)furan-3-carboxamide
CID 47142406
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide (CID 55535044) is N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(Nc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide?
The InChIKey is WICXCCMJTHEFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-5-17(4)25-29(27,28)20-13-11-18(12-14-20)22(26)23-15-21(16(2)3)24-19-9-7-6-8-10-19/h6-14,16-17,21,24-25H,5,15H2,1-4H3,(H,23,26).
What are the key properties of N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide?
N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide has a molecular weight of 417.58 g/mol, XLogP of 3.63, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55535044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).