N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide

C19H24N2O3S — CID 109062895

IUPACN-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O3S/c1-4-15(2)20-25(23,24)18-12-8-11-17(13-18)19(22)21(3)14-16-9-6-5-7-10-16/h5-13,15,20H,4,14H2,1-3H3
InChIKeyXVCTXPGMCCCUPR-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.04
Rot. Bonds7

About N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide

N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide (PubChem CID 109062895) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
PubChem CID109062895
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O3S/c1-4-15(2)20-25(23,24)18-12-8-11-17(13-18)19(22)21(3)14-16-9-6-5-7-10-16/h5-13,15,20H,4,14H2,1-3H3
InChIKeyXVCTXPGMCCCUPR-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26619244
2-[[3-[ethyl(methyl)carbamoyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 122067792
N-[(3-cyanophenyl)methyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 55580715
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
N-benzyl-N-butan-2-yl-3-(ethylsulfamoyl)benzamide
CID 56536496
N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064675
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
N-(2-anilino-2-oxoethyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46415007
N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
CID 100623214
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
3-(butan-2-ylsulfamoyl)benzenecarbothioamide
CID 24711607
3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372085

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide (CID 109062895) is N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide is CCC(C)NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide?
The InChIKey is XVCTXPGMCCCUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-15(2)20-25(23,24)18-12-8-11-17(13-18)19(22)21(3)14-16-9-6-5-7-10-16/h5-13,15,20H,4,14H2,1-3H3.
What are the key properties of N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide?
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide has a molecular weight of 360.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 109062895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).