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

C18H19N3O4S — CID 46591115

IUPACN-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19N3O4S/c1-21(2)26(23,24)17-10-15(8-9-16(17)25-3)18(22)20-12-14-6-4-13(11-19)5-7-14/h4-10H,12H2,1-3H3,(H,20,22)
InChIKeyPIIMJUGQMVUCCG-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.75
Rot. Bonds6

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

N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 46591115) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID46591115
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19N3O4S/c1-21(2)26(23,24)17-10-15(8-9-16(17)25-3)18(22)20-12-14-6-4-13(11-19)5-7-14/h4-10H,12H2,1-3H3,(H,20,22)
InChIKeyPIIMJUGQMVUCCG-UHFFFAOYSA-N
XLogP1.75
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
3-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 46591114
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175
N-[(4-cyanophenyl)methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46673405
3-amino-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 61102737
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46420991
N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46587460
3-(dimethylsulfamoyl)-4-methoxy-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]benzamide
CID 46442346
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
CID 80973356
3-(dimethylsulfamoyl)-4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 27861838
3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
CID 99589028
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 48542375

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 46591115) is N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is PIIMJUGQMVUCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-21(2)26(23,24)17-10-15(8-9-16(17)25-3)18(22)20-12-14-6-4-13(11-19)5-7-14/h4-10H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 373.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 46591115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).