5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C18H17N3O4S — CID 50795472

IUPAC5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCN(c1cncc(C(=O)NCc2ccco2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17N3O4S/c1-21(26(23,24)17-7-3-2-4-8-17)15-10-14(11-19-12-15)18(22)20-13-16-6-5-9-25-16/h2-12H,13H2,1H3,(H,20,22)
InChIKeyRMCBUFXHLIJBRF-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.43
Rot. Bonds6

About 5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide

5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 50795472) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID50795472
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCN(c1cncc(C(=O)NCc2ccco2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17N3O4S/c1-21(26(23,24)17-7-3-2-4-8-17)15-10-14(11-19-12-15)18(22)20-13-16-6-5-9-25-16/h2-12H,13H2,1H3,(H,20,22)
InChIKeyRMCBUFXHLIJBRF-UHFFFAOYSA-N
XLogP2.43
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(N-ethylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231367
5-(dipropylamino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231347
5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109104838
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1302890
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
N-(furan-2-ylmethyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947122
3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109104880
5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104870
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
5-N-(2-chlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104909
4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060492
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 48731204

Frequently Asked Questions

What is the IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 50795472) is 5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide is CN(c1cncc(C(=O)NCc2ccco2)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is RMCBUFXHLIJBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-21(26(23,24)17-7-3-2-4-8-17)15-10-14(11-19-12-15)18(22)20-13-16-6-5-9-25-16/h2-12H,13H2,1H3,(H,20,22).
What are the key properties of 5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 50795472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).