1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea

C17H17FN4O3S — CID 78896037

IUPAC1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea
SMILESCC(NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C17H17FN4O3S/c1-11(14-5-3-4-6-16(14)22-26(2,24)25)20-17(23)21-15-8-7-13(18)9-12(15)10-19/h3-9,11,22H,1-2H3,(H2,20,21,23)
InChIKeyIZNFOVJKZSGIAZ-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.95
Rot. Bonds5

About 1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea

1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea (PubChem CID 78896037) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea
PubChem CID78896037
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea
SMILESCC(NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C17H17FN4O3S/c1-11(14-5-3-4-6-16(14)22-26(2,24)25)20-17(23)21-15-8-7-13(18)9-12(15)10-19/h3-9,11,22H,1-2H3,(H2,20,21,23)
InChIKeyIZNFOVJKZSGIAZ-UHFFFAOYSA-N
XLogP2.95
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyano-4-fluorophenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 78839341
1-(2-cyano-4-fluorophenyl)-3-(3-methylbutan-2-yl)urea
CID 78839868
1-(2-cyano-4-fluorophenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111926800
(2S,3R)-2-[(2-cyano-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966489
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 82016047
1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 47050813
1-(2-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 97025761
(2R)-2-[(2-cyano-4-fluorophenyl)carbamoylamino]butanoic acid
CID 82016256
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
5-[(2-cyano-4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686878
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
1-(2-cyano-4-fluorophenyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111926832

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea (CID 78896037) is 1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea is CC(NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea?
The InChIKey is IZNFOVJKZSGIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-11(14-5-3-4-6-16(14)22-26(2,24)25)20-17(23)21-15-8-7-13(18)9-12(15)10-19/h3-9,11,22H,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea?
1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea has a molecular weight of 376.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea is sourced from PubChem (CID 78896037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).