N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide

C24H22FN3O4S — CID 2344487

IUPACN-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H22FN3O4S/c1-2-32-22-12-14-23(15-13-22)33(30,31)27-20-8-4-18(5-9-20)24(29)28(17-3-16-26)21-10-6-19(25)7-11-21/h4-15,27H,2-3,17H2,1H3
InChIKeyWRBQSCDLFABPJE-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.59
Rot. Bonds9

About N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide

N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide (PubChem CID 2344487) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
PubChem CID2344487
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC NameN-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H22FN3O4S/c1-2-32-22-12-14-23(15-13-22)33(30,31)27-20-8-4-18(5-9-20)24(29)28(17-3-16-26)21-10-6-19(25)7-11-21/h4-15,27H,2-3,17H2,1H3
InChIKeyWRBQSCDLFABPJE-UHFFFAOYSA-N
XLogP4.59
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572846
2-chloro-N,N-bis(2-cyanoethyl)-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55370337
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
CID 55446331
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 24516626
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
(E)-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 56534564
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 18891044
4-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134063378
4-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742507

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide (CID 2344487) is N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide?
The InChIKey is WRBQSCDLFABPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-2-32-22-12-14-23(15-13-22)33(30,31)27-20-8-4-18(5-9-20)24(29)28(17-3-16-26)21-10-6-19(25)7-11-21/h4-15,27H,2-3,17H2,1H3.
What are the key properties of N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide?
N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide has a molecular weight of 467.52 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 2344487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).