N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide

C19H19FN2O4S — CID 38140750

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H19FN2O4S/c20-14-6-4-13(5-7-14)18(23)10-11-19(24)21-16-2-1-3-17(12-16)27(25,26)22-15-8-9-15/h1-7,12,15,22H,8-11H2,(H,21,24)
InChIKeyGXVHKJRUVZEQGR-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.87
Rot. Bonds8

About N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 38140750) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID38140750
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H19FN2O4S/c20-14-6-4-13(5-7-14)18(23)10-11-19(24)21-16-2-1-3-17(12-16)27(25,26)22-15-8-9-15/h1-7,12,15,22H,8-11H2,(H,21,24)
InChIKeyGXVHKJRUVZEQGR-UHFFFAOYSA-N
XLogP2.87
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807070
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 24646324
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 43347060
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide
CID 24582386
N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24655241
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108795529
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718564
N-[3-(cyclopropylsulfamoyl)phenyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 55477994
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037721

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 38140750) is N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is GXVHKJRUVZEQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c20-14-6-4-13(5-7-14)18(23)10-11-19(24)21-16-2-1-3-17(12-16)27(25,26)22-15-8-9-15/h1-7,12,15,22H,8-11H2,(H,21,24).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 390.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 38140750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).