N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide

C16H17FN2O5S — CID 31931206

IUPACN-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)CCCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17FN2O5S/c1-25(22,23)11-6-7-12(17)13(10-11)19-15(20)5-2-8-18-16(21)14-4-3-9-24-14/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyCUVPKQOTVJHNDM-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.97
Rot. Bonds7

About N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide

N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide (PubChem CID 31931206) has the molecular formula C16H17FN2O5S and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide
PubChem CID31931206
Molecular FormulaC16H17FN2O5S
Molecular Weight368.39 g/mol
Exact Mass368.08
IUPAC NameN-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)CCCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17FN2O5S/c1-25(22,23)11-6-7-12(17)13(10-11)19-15(20)5-2-8-18-16(21)14-4-3-9-24-14/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyCUVPKQOTVJHNDM-UHFFFAOYSA-N
XLogP1.97
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 39753944
5-(2-fluoro-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 60708181
N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39761071
methyl 4-chloro-3-[4-(furan-2-carbonylamino)butanoylamino]benzoate
CID 31891304
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844
N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51103819
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361
N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 46693911
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide
CID 32563567
N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
CID 34446965
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide (CID 31931206) is N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide is CS(=O)(=O)c1ccc(F)c(NC(=O)CCCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide?
The InChIKey is CUVPKQOTVJHNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O5S/c1-25(22,23)11-6-7-12(17)13(10-11)19-15(20)5-2-8-18-16(21)14-4-3-9-24-14/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide?
N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 31931206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).