2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C21H19FN2O4S — CID 55476541

IUPAC2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C1CC1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O4S/c22-15-8-6-14(7-9-15)19-12-20(19)21(25)24-16-3-1-5-18(11-16)29(26,27)23-13-17-4-2-10-28-17/h1-11,19-20,23H,12-13H2,(H,24,25)
InChIKeyNMUHPRZWEJQQHW-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.64
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide

2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 55476541) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID55476541
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C1CC1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O4S/c22-15-8-6-14(7-9-15)19-12-20(19)21(25)24-16-3-1-5-18(11-16)29(26,27)23-13-17-4-2-10-28-17/h1-11,19-20,23H,12-13H2,(H,24,25)
InChIKeyNMUHPRZWEJQQHW-UHFFFAOYSA-N
XLogP3.64
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 86852545
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 51295136
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702
5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24639720
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465816
1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 46798356
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465724
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24584102
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 51292308

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 55476541) is 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is NMUHPRZWEJQQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c22-15-8-6-14(7-9-15)19-12-20(19)21(25)24-16-3-1-5-18(11-16)29(26,27)23-13-17-4-2-10-28-17/h1-11,19-20,23H,12-13H2,(H,24,25).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55476541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).