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

C24H20N2O4S2 — CID 46672069

IUPAC3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H20N2O4S2/c27-24(23-19(12-14-30-23)17-32(28,29)22-6-2-1-3-7-22)26-20-8-10-21(11-9-20)31-16-18-5-4-13-25-15-18/h1-15H,16-17H2,(H,26,27)
InChIKeyMRPXLBNNPYPUGZ-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.19
Rot. Bonds8

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

3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide (PubChem CID 46672069) has the molecular formula C24H20N2O4S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide
PubChem CID46672069
Molecular FormulaC24H20N2O4S2
Molecular Weight464.57 g/mol
Exact Mass464.09
IUPAC Name3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H20N2O4S2/c27-24(23-19(12-14-30-23)17-32(28,29)22-6-2-1-3-7-22)26-20-8-10-21(11-9-20)31-16-18-5-4-13-25-15-18/h1-15H,16-17H2,(H,26,27)
InChIKeyMRPXLBNNPYPUGZ-UHFFFAOYSA-N
XLogP5.19
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 46692750
3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 34424924
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78863795
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 55532959
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide
CID 36542645
9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
CID 24620063
3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide
CID 55711975
1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 55468628
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17423774

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide (CID 46672069) is 3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(SCc2cccnc2)cc1)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide?
The InChIKey is MRPXLBNNPYPUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S2/c27-24(23-19(12-14-30-23)17-32(28,29)22-6-2-1-3-7-22)26-20-8-10-21(11-9-20)31-16-18-5-4-13-25-15-18/h1-15H,16-17H2,(H,26,27).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 46672069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).