5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide

C13H14N2O2S — CID 61093193

IUPAC5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1cccs1
InChIInChI=1S/C13H14N2O2S/c1-17-12-5-4-9(14)7-11(12)13(16)15-8-10-3-2-6-18-10/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyJFJNWCLJNIIZNW-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.27
Rot. Bonds4

About 5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide

5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 61093193) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID61093193
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1cccs1
InChIInChI=1S/C13H14N2O2S/c1-17-12-5-4-9(14)7-11(12)13(16)15-8-10-3-2-6-18-10/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyJFJNWCLJNIIZNW-UHFFFAOYSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260
4-methoxy-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 91813988
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
5-amino-2-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79475810
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
5-amino-N-(furan-3-ylmethyl)-2-methoxybenzamide
CID 113228275
2-methoxy-N-propyl-5-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 27261015
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830021

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide (CID 61093193) is 5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(N)cc1C(=O)NCc1cccs1.
What is the InChIKey of 5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is JFJNWCLJNIIZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-12-5-4-9(14)7-11(12)13(16)15-8-10-3-2-6-18-10/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 262.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 61093193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).