N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide

C20H23N3O3S — CID 60555300

IUPACN-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCCN(CC(C)C#N)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C20H23N3O3S/c1-4-23(14-16(3)13-21)20(24)17-8-6-10-19(12-17)27(25,26)22-18-9-5-7-15(2)11-18/h5-12,16,22H,4,14H2,1-3H3
InChIKeyZITPCIOVFHPRAH-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.42
Rot. Bonds7

About N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide

N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 60555300) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID60555300
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCCN(CC(C)C#N)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C20H23N3O3S/c1-4-23(14-16(3)13-21)20(24)17-8-6-10-19(12-17)27(25,26)22-18-9-5-7-15(2)11-18/h5-12,16,22H,4,14H2,1-3H3
InChIKeyZITPCIOVFHPRAH-UHFFFAOYSA-N
XLogP3.42
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide
CID 60555353
N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 32628667
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 9227005
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
N-(3-ethoxypropyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 26776167
N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56509866

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 60555300) is N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide is CCN(CC(C)C#N)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is ZITPCIOVFHPRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-23(14-16(3)13-21)20(24)17-8-6-10-19(12-17)27(25,26)22-18-9-5-7-15(2)11-18/h5-12,16,22H,4,14H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 385.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 60555300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).