2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide

C13H14N2OS — CID 55175065

IUPAC2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1ccc(N)c(C(=O)NCc2ccsc2)c1
InChIInChI=1S/C13H14N2OS/c1-9-2-3-12(14)11(6-9)13(16)15-7-10-4-5-17-8-10/h2-6,8H,7,14H2,1H3,(H,15,16)
InChIKeyBGYKZEABHZTPTR-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.57
Rot. Bonds3

About 2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide

2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 55175065) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID55175065
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1ccc(N)c(C(=O)NCc2ccsc2)c1
InChIInChI=1S/C13H14N2OS/c1-9-2-3-12(14)11(6-9)13(16)15-7-10-4-5-17-8-10/h2-6,8H,7,14H2,1H3,(H,15,16)
InChIKeyBGYKZEABHZTPTR-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62508692
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029562
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
5-amino-4-fluoro-2-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 63247819
5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide
CID 107185130
2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
4-hydrazinyl-6-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81256330

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 55175065) is 2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide is Cc1ccc(N)c(C(=O)NCc2ccsc2)c1.
What is the InChIKey of 2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is BGYKZEABHZTPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-2-3-12(14)11(6-9)13(16)15-7-10-4-5-17-8-10/h2-6,8H,7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide?
2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 246.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 55175065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).