N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide

C18H19N3O3S — CID 94044019

IUPACN-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H19N3O3S/c1-13(2)21-25(23,24)17-8-6-16(7-9-17)18(22)20-12-15-5-3-4-14(10-15)11-19/h3-10,13,21H,12H2,1-2H3,(H,20,22)
InChIKeyGZCHDIKWOGKLPQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.17
Rot. Bonds6

About N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide

N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 94044019) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID94044019
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H19N3O3S/c1-13(2)21-25(23,24)17-8-6-16(7-9-17)18(22)20-12-15-5-3-4-14(10-15)11-19/h3-10,13,21H,12H2,1-2H3,(H,20,22)
InChIKeyGZCHDIKWOGKLPQ-UHFFFAOYSA-N
XLogP2.17
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-1-[(3-cyanophenyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 96542965
N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43059176
N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
N-[(3-cyanophenyl)methyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 55580715
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide
CID 55724845
N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103951763
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide
CID 109060541

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 94044019) is N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2cccc(C#N)c2)cc1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is GZCHDIKWOGKLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13(2)21-25(23,24)17-8-6-16(7-9-17)18(22)20-12-15-5-3-4-14(10-15)11-19/h3-10,13,21H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 357.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 94044019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).