N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide

C19H24N2O3S — CID 109059006

IUPACN-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-15(3)21-19(22)17-8-10-18(11-9-17)25(23,24)20-13-16-7-5-6-14(2)12-16/h5-12,15,20H,4,13H2,1-3H3,(H,21,22)
InChIKeyITPYLDKQCSNJGF-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.00
Rot. Bonds7

About N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide

N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 109059006) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
PubChem CID109059006
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-15(3)21-19(22)17-8-10-18(11-9-17)25(23,24)20-13-16-7-5-6-14(2)12-16/h5-12,15,20H,4,13H2,1-3H3,(H,21,22)
InChIKeyITPYLDKQCSNJGF-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
CID 109057844
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
CID 25044694
N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060652
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
4-(ethylsulfamoyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 86830095
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
2-methoxy-5-[(3-methylphenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 53283069
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide
CID 55724845
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide (CID 109059006) is N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide is CCC(C)NC(=O)c1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is ITPYLDKQCSNJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-15(3)21-19(22)17-8-10-18(11-9-17)25(23,24)20-13-16-7-5-6-14(2)12-16/h5-12,15,20H,4,13H2,1-3H3,(H,21,22).
What are the key properties of N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109059006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).