N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide

C18H22FN3O5S — CID 34446965

IUPACN-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)c2ccco2)c1
InChIInChI=1S/C18H22FN3O5S/c1-3-22(4-2)28(25,26)13-7-8-15(19)14(12-13)17(23)20-9-10-21-18(24)16-6-5-11-27-16/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFHDNPDYKOALCCY-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.61
Rot. Bonds9

About N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 34446965) has the molecular formula C18H22FN3O5S and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID34446965
Molecular FormulaC18H22FN3O5S
Molecular Weight411.46 g/mol
Exact Mass411.13
IUPAC NameN-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)c2ccco2)c1
InChIInChI=1S/C18H22FN3O5S/c1-3-22(4-2)28(25,26)13-7-8-15(19)14(12-13)17(23)20-9-10-21-18(24)16-6-5-11-27-16/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFHDNPDYKOALCCY-UHFFFAOYSA-N
XLogP1.61
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.61
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-[3-[[4-(diethylsulfamoyl)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 26423283
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide
CID 38766346
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748210
N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797230
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24549162
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 39753944
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide (CID 34446965) is N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is FHDNPDYKOALCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O5S/c1-3-22(4-2)28(25,26)13-7-8-15(19)14(12-13)17(23)20-9-10-21-18(24)16-6-5-11-27-16/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 34446965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).