N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide

C18H18FN3O3S — CID 113064173

IUPACN-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(F)cc1C)c1ccccc1C#N
InChIInChI=1S/C18H18FN3O3S/c1-13-11-16(19)7-8-18(13)26(24,25)21-9-10-22(14(2)23)17-6-4-3-5-15(17)12-20/h3-8,11,21H,9-10H2,1-2H3
InChIKeyCONZMZOGXYYAHO-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.34
Rot. Bonds6

About N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide

N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113064173) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113064173
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(F)cc1C)c1ccccc1C#N
InChIInChI=1S/C18H18FN3O3S/c1-13-11-16(19)7-8-18(13)26(24,25)21-9-10-22(14(2)23)17-6-4-3-5-15(17)12-20/h3-8,11,21H,9-10H2,1-2H3
InChIKeyCONZMZOGXYYAHO-UHFFFAOYSA-N
XLogP2.34
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113059483
N-[4-(dimethylamino)phenyl]-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113062231
N-(4-ethylphenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058473
N-(2,4-dimethylphenyl)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113057732
N-(2-ethylphenyl)-N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058367
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961
N-[2-(methanesulfonamido)ethyl]-N-(2-methylphenyl)acetamide
CID 113057355
N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 113053722
N-[4-(2-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989897
2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113180657
N-(2-tert-butylsulfanylethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 95177267
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide (CID 113064173) is N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(F)cc1C)c1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is CONZMZOGXYYAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-13-11-16(19)7-8-18(13)26(24,25)21-9-10-22(14(2)23)17-6-4-3-5-15(17)12-20/h3-8,11,21H,9-10H2,1-2H3.
What are the key properties of N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide?
N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113064173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).