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

C12H12N2OS — CID 2797822

IUPAC2-amino-N-(thiophen-2-ylmethyl)benzamide
SMILESNc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C12H12N2OS/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8,13H2,(H,14,15)
InChIKeyCDOLIILWKFPIOS-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.26
Rot. Bonds3

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

2-amino-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2797822) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-amino-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2797822
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-amino-N-(thiophen-2-ylmethyl)benzamide
SMILESNc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C12H12N2OS/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8,13H2,(H,14,15)
InChIKeyCDOLIILWKFPIOS-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-(thiophen-2-ylmethyl)benzamide (CID 2797822) is 2-amino-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-(thiophen-2-ylmethyl)benzamide is Nc1ccccc1C(=O)NCc1cccs1.
What is the InChIKey of 2-amino-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CDOLIILWKFPIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8,13H2,(H,14,15).
What are the key properties of 2-amino-N-(thiophen-2-ylmethyl)benzamide?
2-amino-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 232.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2797822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).