3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide

C23H22N2O5S — CID 55532959

IUPAC3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22N2O5S/c26-22(24-19-10-8-17(9-11-19)23(27)25-13-4-5-14-25)21-18(12-15-30-21)16-31(28,29)20-6-2-1-3-7-20/h1-3,6-12,15H,4-5,13-14,16H2,(H,24,26)
InChIKeyLZPLKCHDOYMGMV-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.74
Rot. Bonds6

About 3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 55532959) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
PubChem CID55532959
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22N2O5S/c26-22(24-19-10-8-17(9-11-19)23(27)25-13-4-5-14-25)21-18(12-15-30-21)16-31(28,29)20-6-2-1-3-7-20/h1-3,6-12,15H,4-5,13-14,16H2,(H,24,26)
InChIKeyLZPLKCHDOYMGMV-UHFFFAOYSA-N
XLogP3.74
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.74
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-4-ylmethyl)phenyl]furan-2-carboxamide
CID 46692750
(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 119380119
[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491565
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide
CID 55711975
3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
CID 51283677
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide
CID 46672069

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide (CID 55532959) is 3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is LZPLKCHDOYMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c26-22(24-19-10-8-17(9-11-19)23(27)25-13-4-5-14-25)21-18(12-15-30-21)16-31(28,29)20-6-2-1-3-7-20/h1-3,6-12,15H,4-5,13-14,16H2,(H,24,26).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55532959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).