4-methyl-3-thiophen-3-ylbenzamide

C12H11NOS — CID 142672205

IUPAC4-methyl-3-thiophen-3-ylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccsc1
InChIInChI=1S/C12H11NOS/c1-8-2-3-9(12(13)14)6-11(8)10-4-5-15-7-10/h2-7H,1H3,(H2,13,14)
InChIKeyCQLVPVKRBRSUEU-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.82
Rot. Bonds2

About 4-methyl-3-thiophen-3-ylbenzamide

4-methyl-3-thiophen-3-ylbenzamide (PubChem CID 142672205) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-methyl-3-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name4-methyl-3-thiophen-3-ylbenzamide
PubChem CID142672205
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name4-methyl-3-thiophen-3-ylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccsc1
InChIInChI=1S/C12H11NOS/c1-8-2-3-9(12(13)14)6-11(8)10-4-5-15-7-10/h2-7H,1H3,(H2,13,14)
InChIKeyCQLVPVKRBRSUEU-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 4-methyl-3-thiophen-3-ylbenzamide?
The IUPAC name of 4-methyl-3-thiophen-3-ylbenzamide (CID 142672205) is 4-methyl-3-thiophen-3-ylbenzamide.
What is the SMILES notation for 4-methyl-3-thiophen-3-ylbenzamide?
The canonical SMILES for 4-methyl-3-thiophen-3-ylbenzamide is Cc1ccc(C(N)=O)cc1-c1ccsc1.
What is the InChIKey of 4-methyl-3-thiophen-3-ylbenzamide?
The InChIKey is CQLVPVKRBRSUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-2-3-9(12(13)14)6-11(8)10-4-5-15-7-10/h2-7H,1H3,(H2,13,14).
What are the key properties of 4-methyl-3-thiophen-3-ylbenzamide?
4-methyl-3-thiophen-3-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 4-methyl-3-thiophen-3-ylbenzamide is sourced from PubChem (CID 142672205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).