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

C23H29N3O4S — CID 55378041

IUPACN-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1
InChIInChI=1S/C23H29N3O4S/c1-5-25(6-2)31(28,29)21-14-9-18(4)22(17-21)23(27)26(16-8-15-24)19-10-12-20(13-11-19)30-7-3/h9-14,17H,5-8,16H2,1-4H3
InChIKeyABHSHRGHBNNZKX-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.98
Rot. Bonds10

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

N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide (PubChem CID 55378041) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide
PubChem CID55378041
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1
InChIInChI=1S/C23H29N3O4S/c1-5-25(6-2)31(28,29)21-14-9-18(4)22(17-21)23(27)26(16-8-15-24)19-10-12-20(13-11-19)30-7-3/h9-14,17H,5-8,16H2,1-4H3
InChIKeyABHSHRGHBNNZKX-UHFFFAOYSA-N
XLogP3.98
TPSA90.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 56534399
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 55313369
N-(2-cyanoethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 56534390
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 42985621
4,5-dibromo-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 55488066
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
6-chloro-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 56572711
N-(cyanomethyl)-4-ethoxy-N-ethylbenzenesulfonamide
CID 94695842
N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide
CID 56534475
N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 2344487
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 56572555
(E)-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 56534564

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide (CID 55378041) is N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide is CCOc1ccc(N(CCC#N)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1.
What is the InChIKey of N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide?
The InChIKey is ABHSHRGHBNNZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-5-25(6-2)31(28,29)21-14-9-18(4)22(17-21)23(27)26(16-8-15-24)19-10-12-20(13-11-19)30-7-3/h9-14,17H,5-8,16H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide?
N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide has a molecular weight of 443.57 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 55378041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).