N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide

C23H21FN2O4S — CID 31474000

IUPACN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C23H21FN2O4S/c1-16-11-12-18(25-23(28)14-13-21(27)17-7-3-2-4-8-17)15-22(16)31(29,30)26-20-10-6-5-9-19(20)24/h2-12,15,26H,13-14H2,1H3,(H,25,28)
InChIKeyXPFDIJBEYCYOAU-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.54
Rot. Bonds8

About N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide (PubChem CID 31474000) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
PubChem CID31474000
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC NameN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C23H21FN2O4S/c1-16-11-12-18(25-23(28)14-13-21(27)17-7-3-2-4-8-17)15-22(16)31(29,30)26-20-10-6-5-9-19(20)24/h2-12,15,26H,13-14H2,1H3,(H,25,28)
InChIKeyXPFDIJBEYCYOAU-UHFFFAOYSA-N
XLogP4.54
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 42988703
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide
CID 56520478
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 25489998
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 24648345
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]butanamide
CID 24648360
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 31474763
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 31473967
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24648342
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 37194892
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide
CID 4555053

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide (CID 31474000) is N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide is Cc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide?
The InChIKey is XPFDIJBEYCYOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-16-11-12-18(25-23(28)14-13-21(27)17-7-3-2-4-8-17)15-22(16)31(29,30)26-20-10-6-5-9-19(20)24/h2-12,15,26H,13-14H2,1H3,(H,25,28).
What are the key properties of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide?
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide has a molecular weight of 440.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 31474000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).