N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide

C25H24FN3O4S — CID 55584138

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H24FN3O4S/c1-16(17-8-12-20(13-9-17)28-25(31)18-6-7-18)27-24(30)19-10-14-21(15-11-19)34(32,33)29-23-5-3-2-4-22(23)26/h2-5,8-16,18,29H,6-7H2,1H3,(H,27,30)(H,28,31)
InChIKeySJQVSUSCIWUHIV-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.47
Rot. Bonds8

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 55584138) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID55584138
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H24FN3O4S/c1-16(17-8-12-20(13-9-17)28-25(31)18-6-7-18)27-24(30)19-10-14-21(15-11-19)34(32,33)29-23-5-3-2-4-22(23)26/h2-5,8-16,18,29H,6-7H2,1H3,(H,27,30)(H,28,31)
InChIKeySJQVSUSCIWUHIV-UHFFFAOYSA-N
XLogP4.47
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 46651101
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[(2-chlorophenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 55346393
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46467572
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 24683131
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide
CID 46468865
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 43058083
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide
CID 55645122
4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide
CID 46468399
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641
N-(4-cyanophenyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 26699329

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide (CID 55584138) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide is CC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is SJQVSUSCIWUHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c1-16(17-8-12-20(13-9-17)28-25(31)18-6-7-18)27-24(30)19-10-14-21(15-11-19)34(32,33)29-23-5-3-2-4-22(23)26/h2-5,8-16,18,29H,6-7H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 481.55 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55584138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).