N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide

C13H14N2O3S2 — CID 694792

IUPACN-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C13H14N2O3S2/c14-20(17,18)12-5-3-10(4-6-12)9-15-13(16)8-11-2-1-7-19-11/h1-7H,8-9H2,(H,15,16)(H2,14,17,18)
InChIKeyHFRDTVPDZVGHGW-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.25
Rot. Bonds5

About N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide

N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 694792) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID694792
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C13H14N2O3S2/c14-20(17,18)12-5-3-10(4-6-12)9-15-13(16)8-11-2-1-7-19-11/h1-7H,8-9H2,(H,15,16)(H2,14,17,18)
InChIKeyHFRDTVPDZVGHGW-UHFFFAOYSA-N
XLogP1.25
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide (CID 694792) is N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide is NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is HFRDTVPDZVGHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c14-20(17,18)12-5-3-10(4-6-12)9-15-13(16)8-11-2-1-7-19-11/h1-7H,8-9H2,(H,15,16)(H2,14,17,18).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 310.40 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 694792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).