N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

C19H19N3O4S — CID 46591175

IUPACN-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C19H19N3O4S/c1-26-17-9-6-15(10-18(17)27(24,25)22-16-7-8-16)19(23)21-12-14-4-2-13(11-20)3-5-14/h2-6,9-10,16,22H,7-8,12H2,1H3,(H,21,23)
InChIKeyFXZGRTUIZUQYCM-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.94
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (PubChem CID 46591175) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
PubChem CID46591175
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C19H19N3O4S/c1-26-17-9-6-15(10-18(17)27(24,25)22-16-7-8-16)19(23)21-12-14-4-2-13(11-20)3-5-14/h2-6,9-10,16,22H,7-8,12H2,1H3,(H,21,23)
InChIKeyFXZGRTUIZUQYCM-UHFFFAOYSA-N
XLogP1.94
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 46591114
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115
N-[(4-cyanophenyl)methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46673405
2-(4-cyanophenoxy)ethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702853
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46475905
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 46424901
3-amino-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 61102737
3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976665
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46587460

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (CID 46591175) is N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The InChIKey is FXZGRTUIZUQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-26-17-9-6-15(10-18(17)27(24,25)22-16-7-8-16)19(23)21-12-14-4-2-13(11-20)3-5-14/h2-6,9-10,16,22H,7-8,12H2,1H3,(H,21,23).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide has a molecular weight of 385.45 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 46591175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).