2-methyl-N-(thiophen-2-ylmethyl)benzamide

C13H13NOS — CID 3580913

IUPAC2-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C13H13NOS/c1-10-5-2-3-7-12(10)13(15)14-9-11-6-4-8-16-11/h2-8H,9H2,1H3,(H,14,15)
InChIKeySWGSGDGYLWPRBA-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.99
Rot. Bonds3

About 2-methyl-N-(thiophen-2-ylmethyl)benzamide

2-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 3580913) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID3580913
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C13H13NOS/c1-10-5-2-3-7-12(10)13(15)14-9-11-6-4-8-16-11/h2-8H,9H2,1H3,(H,14,15)
InChIKeySWGSGDGYLWPRBA-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 143453857
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102205335
2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 2774319
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 3580913) is 2-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)benzamide is Cc1ccccc1C(=O)NCc1cccs1.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is SWGSGDGYLWPRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10-5-2-3-7-12(10)13(15)14-9-11-6-4-8-16-11/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)benzamide?
2-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 231.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 3580913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).