N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide

C19H21FN2O3S — CID 47058166

IUPACN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H21FN2O3S/c20-16-6-1-14(2-7-16)5-12-19(23)21-13-15-3-10-18(11-4-15)26(24,25)22-17-8-9-17/h1-4,6-7,10-11,17,22H,5,8-9,12-13H2,(H,21,23)
InChIKeyZXEMXCIQOARBBG-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.52
Rot. Bonds8

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

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 47058166) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID47058166
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H21FN2O3S/c20-16-6-1-14(2-7-16)5-12-19(23)21-13-15-3-10-18(11-4-15)26(24,25)22-17-8-9-17/h1-4,6-7,10-11,17,22H,5,8-9,12-13H2,(H,21,23)
InChIKeyZXEMXCIQOARBBG-UHFFFAOYSA-N
XLogP2.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide (CID 47058166) is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide is O=C(CCc1ccc(F)cc1)NCc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is ZXEMXCIQOARBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-16-6-1-14(2-7-16)5-12-19(23)21-13-15-3-10-18(11-4-15)26(24,25)22-17-8-9-17/h1-4,6-7,10-11,17,22H,5,8-9,12-13H2,(H,21,23).
What are the key properties of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide?
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 376.45 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 47058166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).