3-methyl-2-thiophen-2-ylbenzamide

C12H11NOS — CID 67400493

IUPAC3-methyl-2-thiophen-2-ylbenzamide
SMILESCc1cccc(C(N)=O)c1-c1cccs1
InChIInChI=1S/C12H11NOS/c1-8-4-2-5-9(12(13)14)11(8)10-6-3-7-15-10/h2-7H,1H3,(H2,13,14)
InChIKeyMWERYHHNCYLIFY-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.82
Rot. Bonds2

About 3-methyl-2-thiophen-2-ylbenzamide

3-methyl-2-thiophen-2-ylbenzamide (PubChem CID 67400493) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-methyl-2-thiophen-2-ylbenzamide.

Molecular Properties

Compound Name3-methyl-2-thiophen-2-ylbenzamide
PubChem CID67400493
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name3-methyl-2-thiophen-2-ylbenzamide
SMILESCc1cccc(C(N)=O)c1-c1cccs1
InChIInChI=1S/C12H11NOS/c1-8-4-2-5-9(12(13)14)11(8)10-6-3-7-15-10/h2-7H,1H3,(H2,13,14)
InChIKeyMWERYHHNCYLIFY-UHFFFAOYSA-N
XLogP2.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-thiophen-2-ylbenzamide?
The IUPAC name of 3-methyl-2-thiophen-2-ylbenzamide (CID 67400493) is 3-methyl-2-thiophen-2-ylbenzamide.
What is the SMILES notation for 3-methyl-2-thiophen-2-ylbenzamide?
The canonical SMILES for 3-methyl-2-thiophen-2-ylbenzamide is Cc1cccc(C(N)=O)c1-c1cccs1.
What is the InChIKey of 3-methyl-2-thiophen-2-ylbenzamide?
The InChIKey is MWERYHHNCYLIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-4-2-5-9(12(13)14)11(8)10-6-3-7-15-10/h2-7H,1H3,(H2,13,14).
What are the key properties of 3-methyl-2-thiophen-2-ylbenzamide?
3-methyl-2-thiophen-2-ylbenzamide has a molecular weight of 217.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-thiophen-2-ylbenzamide is sourced from PubChem (CID 67400493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).