3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide

C24H26N2O4S2 — CID 60621795

IUPAC3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1occc1CSc1ccccc1
InChIInChI=1S/C24H26N2O4S2/c27-24(23-20(12-15-30-23)18-31-21-9-3-1-4-10-21)25-17-19-8-7-11-22(16-19)32(28,29)26-13-5-2-6-14-26/h1,3-4,7-12,15-16H,2,5-6,13-14,17-18H2,(H,25,27)
InChIKeyRBFWOFJUUOAZMA-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.68
Rot. Bonds8

About 3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide

3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide (PubChem CID 60621795) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide
PubChem CID60621795
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1occc1CSc1ccccc1
InChIInChI=1S/C24H26N2O4S2/c27-24(23-20(12-15-30-23)18-31-21-9-3-1-4-10-21)25-17-19-8-7-11-22(16-19)32(28,29)26-13-5-2-6-14-26/h1,3-4,7-12,15-16H,2,5-6,13-14,17-18H2,(H,25,27)
InChIKeyRBFWOFJUUOAZMA-UHFFFAOYSA-N
XLogP4.68
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78853234
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 112803797
cis-(1R,2S)-2-methyl-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]cyclopropane-1-carboxamide
CID 95285827
2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119765108
1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 70680204
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78879225
4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 119312860
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 66872598
5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide
CID 60621896
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
4-[[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542092
3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 119512463

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide (CID 60621795) is 3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide is O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1occc1CSc1ccccc1.
What is the InChIKey of 3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide?
The InChIKey is RBFWOFJUUOAZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c27-24(23-20(12-15-30-23)18-31-21-9-3-1-4-10-21)25-17-19-8-7-11-22(16-19)32(28,29)26-13-5-2-6-14-26/h1,3-4,7-12,15-16H,2,5-6,13-14,17-18H2,(H,25,27).
What are the key properties of 3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide?
3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 60621795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).