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

C24H20N2O4S — CID 46692750

IUPAC3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H20N2O4S/c27-24(26-21-8-6-18(7-9-21)16-19-10-13-25-14-11-19)23-20(12-15-30-23)17-31(28,29)22-4-2-1-3-5-22/h1-15H,16-17H2,(H,26,27)
InChIKeyUGKWJCHWTOSYTR-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.49
Rot. Bonds7

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

3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 46692750) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
PubChem CID46692750
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H20N2O4S/c27-24(26-21-8-6-18(7-9-21)16-19-10-13-25-14-11-19)23-20(12-15-30-23)17-31(28,29)22-4-2-1-3-5-22/h1-15H,16-17H2,(H,26,27)
InChIKeyUGKWJCHWTOSYTR-UHFFFAOYSA-N
XLogP4.49
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide
CID 46672069
3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 86923783
3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 55532959
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide
CID 55711975
3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 37018546
methyl 3-[2-[3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]phenyl]ethynyl]benzoate
CID 38087980
3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51283662
3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 46664615
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide
CID 46580364

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide (CID 46692750) is 3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cc2ccncc2)cc1)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
The InChIKey is UGKWJCHWTOSYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c27-24(26-21-8-6-18(7-9-21)16-19-10-13-25-14-11-19)23-20(12-15-30-23)17-31(28,29)22-4-2-1-3-5-22/h1-15H,16-17H2,(H,26,27).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 46692750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).