2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide

C13H14N2O4S2 — CID 112780774

IUPAC2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CSCc2ccco2)c1
InChIInChI=1S/C13H14N2O4S2/c14-21(17,18)12-5-1-3-10(7-12)15-13(16)9-20-8-11-4-2-6-19-11/h1-7H,8-9H2,(H,15,16)(H2,14,17,18)
InChIKeyXSYLJYCJHDZCDI-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.80
Rot. Bonds6

About 2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide

2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide (PubChem CID 112780774) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide
PubChem CID112780774
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CSCc2ccco2)c1
InChIInChI=1S/C13H14N2O4S2/c14-21(17,18)12-5-1-3-10(7-12)15-13(16)9-20-8-11-4-2-6-19-11/h1-7H,8-9H2,(H,15,16)(H2,14,17,18)
InChIKeyXSYLJYCJHDZCDI-UHFFFAOYSA-N
XLogP1.80
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780784
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780802
2-pyridin-2-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3911051
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 3902311
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780738
furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8621091
2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 4593253
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide (CID 112780774) is 2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cccc(NC(=O)CSCc2ccco2)c1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is XSYLJYCJHDZCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c14-21(17,18)12-5-1-3-10(7-12)15-13(16)9-20-8-11-4-2-6-19-11/h1-7H,8-9H2,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide?
2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 112780774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).