N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide

C21H25N3O4S — CID 56534399

IUPACN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(CCC#N)c2ccc(OCC)cc2)c1
InChIInChI=1S/C21H25N3O4S/c1-4-23-29(26,27)19-12-7-16(3)20(15-19)21(25)24(14-6-13-22)17-8-10-18(11-9-17)28-5-2/h7-12,15,23H,4-6,14H2,1-3H3
InChIKeyZKICRGZRUSZMLO-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.25
Rot. Bonds9

About N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 56534399) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID56534399
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(CCC#N)c2ccc(OCC)cc2)c1
InChIInChI=1S/C21H25N3O4S/c1-4-23-29(26,27)19-12-7-16(3)20(15-19)21(25)24(14-6-13-22)17-8-10-18(11-9-17)28-5-2/h7-12,15,23H,4-6,14H2,1-3H3
InChIKeyZKICRGZRUSZMLO-UHFFFAOYSA-N
XLogP3.25
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide
CID 55378041
N-(2-cyanoethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 56534390
N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 2344487
(E)-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 56534564
2-chloro-N,N-bis(2-cyanoethyl)-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55370337
4,5-dibromo-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 55488066
2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119206509
N-(3,4-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113057963
N-[2-(4-ethoxyphenoxy)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39971961
6-chloro-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 56572711
N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide
CID 56534475
5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
CID 86866408

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide (CID 56534399) is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)N(CCC#N)c2ccc(OCC)cc2)c1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is ZKICRGZRUSZMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-4-23-29(26,27)19-12-7-16(3)20(15-19)21(25)24(14-6-13-22)17-8-10-18(11-9-17)28-5-2/h7-12,15,23H,4-6,14H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 56534399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).