2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide

C12H12N2O5S3 — CID 76852491

IUPAC2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide
SMILESNC(=O)Cc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H12N2O5S3/c13-10(15)7-8-1-3-9(4-2-8)21(16,17)11-5-6-12(20-11)22(14,18)19/h1-6H,7H2,(H2,13,15)(H2,14,18,19)
InChIKeyMDPJCEISBIFROA-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.26
Rot. Bonds5

About 2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide

2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide (PubChem CID 76852491) has the molecular formula C12H12N2O5S3 and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide
PubChem CID76852491
Molecular FormulaC12H12N2O5S3
Molecular Weight360.44 g/mol
Exact Mass359.99
IUPAC Name2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide
SMILESNC(=O)Cc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H12N2O5S3/c13-10(15)7-8-1-3-9(4-2-8)21(16,17)11-5-6-12(20-11)22(14,18)19/h1-6H,7H2,(H2,13,15)(H2,14,18,19)
InChIKeyMDPJCEISBIFROA-UHFFFAOYSA-N
XLogP0.26
TPSA137.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide (CID 76852491) is 2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide is NC(=O)Cc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide?
The InChIKey is MDPJCEISBIFROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S3/c13-10(15)7-8-1-3-9(4-2-8)21(16,17)11-5-6-12(20-11)22(14,18)19/h1-6H,7H2,(H2,13,15)(H2,14,18,19).
What are the key properties of 2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide?
2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 76852491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).