N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide

C18H19N3O3S — CID 110428390

IUPACN-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide
SMILESCc1ccc(NS(=O)(=O)CC(C)C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O3S/c1-13-7-9-16(10-8-13)21-25(23,24)12-14(2)18(22)20-17-6-4-3-5-15(17)11-19/h3-10,14,21H,12H2,1-2H3,(H,20,22)
InChIKeyGNYUTJNYBYXEEW-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.88
Rot. Bonds6

About N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide

N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide (PubChem CID 110428390) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide
PubChem CID110428390
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide
SMILESCc1ccc(NS(=O)(=O)CC(C)C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O3S/c1-13-7-9-16(10-8-13)21-25(23,24)12-14(2)18(22)20-17-6-4-3-5-15(17)11-19/h3-10,14,21H,12H2,1-2H3,(H,20,22)
InChIKeyGNYUTJNYBYXEEW-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyanophenyl)sulfamoyl]-2-methylpropanoic acid
CID 82019591
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2462072
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168395
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide
CID 110607539
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773290
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide
CID 10245288
N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide
CID 63172628

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide (CID 110428390) is N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide is Cc1ccc(NS(=O)(=O)CC(C)C(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide?
The InChIKey is GNYUTJNYBYXEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13-7-9-16(10-8-13)21-25(23,24)12-14(2)18(22)20-17-6-4-3-5-15(17)11-19/h3-10,14,21H,12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide?
N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide has a molecular weight of 357.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-methyl-3-[(4-methylphenyl)sulfamoyl]propanamide is sourced from PubChem (CID 110428390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).