3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide

C21H22N2O4S2 — CID 78847919

IUPAC3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2occc2CSc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-2-13-22-29(25,26)19-10-8-17(9-11-19)23-21(24)20-16(12-14-27-20)15-28-18-6-4-3-5-7-18/h3-12,14,22H,2,13,15H2,1H3,(H,23,24)
InChIKeyYILBCSWRYBIRCK-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.51
Rot. Bonds9

About 3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide

3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 78847919) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID78847919
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Name3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2occc2CSc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-2-13-22-29(25,26)19-10-8-17(9-11-19)23-21(24)20-16(12-14-27-20)15-28-18-6-4-3-5-7-18/h3-12,14,22H,2,13,15H2,1H3,(H,23,24)
InChIKeyYILBCSWRYBIRCK-UHFFFAOYSA-N
XLogP4.51
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(phenylsulfanylmethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-2-carboxamide
CID 112815046
N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 134046258
N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 78861185
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 112803797
N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119497428
2,6-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17146819
3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide
CID 46672069
4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide (CID 78847919) is 3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide is CCCNS(=O)(=O)c1ccc(NC(=O)c2occc2CSc2ccccc2)cc1.
What is the InChIKey of 3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is YILBCSWRYBIRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-2-13-22-29(25,26)19-10-8-17(9-11-19)23-21(24)20-16(12-14-27-20)15-28-18-6-4-3-5-7-18/h3-12,14,22H,2,13,15H2,1H3,(H,23,24).
What are the key properties of 3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide?
3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylmethyl)-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 78847919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).