3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide

C12H12N2O3S2 — CID 2807842

IUPAC3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(-c2ccccc2)sc1C(N)=O
InChIInChI=1S/C12H12N2O3S2/c1-19(16,17)14-9-7-10(18-11(9)12(13)15)8-5-3-2-4-6-8/h2-7,14H,1H3,(H2,13,15)
InChIKeyWWTLFVCHLRHQQL-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.89
Rot. Bonds4

About 3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide

3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide (PubChem CID 2807842) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide
PubChem CID2807842
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(-c2ccccc2)sc1C(N)=O
InChIInChI=1S/C12H12N2O3S2/c1-19(16,17)14-9-7-10(18-11(9)12(13)15)8-5-3-2-4-6-8/h2-7,14H,1H3,(H2,13,15)
InChIKeyWWTLFVCHLRHQQL-UHFFFAOYSA-N
XLogP1.89
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide (CID 2807842) is 3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide is CS(=O)(=O)Nc1cc(-c2ccccc2)sc1C(N)=O.
What is the InChIKey of 3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide?
The InChIKey is WWTLFVCHLRHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-19(16,17)14-9-7-10(18-11(9)12(13)15)8-5-3-2-4-6-8/h2-7,14H,1H3,(H2,13,15).
What are the key properties of 3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide?
3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 2807842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).