N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide

C17H15N3O4S — CID 651836

IUPACN-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccco1
InChIInChI=1S/C17H15N3O4S/c21-17(16-4-2-10-24-16)20-14-5-7-15(8-6-14)25(22,23)19-12-13-3-1-9-18-11-13/h1-11,19H,12H2,(H,20,21)
InChIKeyUUXIDMWULJIPDU-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.41
Rot. Bonds6

About N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide

N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 651836) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID651836
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccco1
InChIInChI=1S/C17H15N3O4S/c21-17(16-4-2-10-24-16)20-14-5-7-15(8-6-14)25(22,23)19-12-13-3-1-9-18-11-13/h1-11,19H,12H2,(H,20,21)
InChIKeyUUXIDMWULJIPDU-UHFFFAOYSA-N
XLogP2.41
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Furan-2-carboxylic acid {(S)-2-cyclohexyl-1-[(4S,7R)-7-methyl-3-oxo-1-(pyridine-2-sulfonyl)-azepan-4-ylcarbamoyl]-ethyl}-amide
CID 9893225
N-[(2S)-3-(4-methylcyclohexyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 10098917
N-[(2S)-3-(1-methylcyclohexyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 10325113
N-[(2S)-3-cycloheptyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 10482525
N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]furan-2-carboxamide
CID 56670150
N-[(2S)-3-(1-methylcyclopentyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 56670151
N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 56683636
Benzene-1,4-disulfonic acid 1-diethylamide 4-(furan-2-ylmethyl-pyridin-2-ylmethyl-amide)
CID 648165
N-[5-(2-furoylamino)-2-methoxyphenyl]nicotinamide
CID 834436
N-(4-{[(2-pyridinylmethyl)amino]carbonyl}phenyl)-2-furamide
CID 839474
N-[(2S)-4-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 9984481
N-[(2R)-3-(1-methylcyclohexyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 10076076

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide (CID 651836) is N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccco1.
What is the InChIKey of N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is UUXIDMWULJIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c21-17(16-4-2-10-24-16)20-14-5-7-15(8-6-14)25(22,23)19-12-13-3-1-9-18-11-13/h1-11,19H,12H2,(H,20,21).
What are the key properties of N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide?
N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 651836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).