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

C13H14N2OS — CID 43527201

IUPAC3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1cccc(N)c1
InChIInChI=1S/C13H14N2OS/c1-15(9-12-6-3-7-17-12)13(16)10-4-2-5-11(14)8-10/h2-8H,9,14H2,1H3
InChIKeyDZOZLKYIHPNNTR-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.60
Rot. Bonds3

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

3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 43527201) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID43527201
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1cccc(N)c1
InChIInChI=1S/C13H14N2OS/c1-15(9-12-6-3-7-17-12)13(16)10-4-2-5-11(14)8-10/h2-8H,9,14H2,1H3
InChIKeyDZOZLKYIHPNNTR-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196
N,2,3-trimethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 51205761
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
6-amino-N-methyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 61095599
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
6-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62238783
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 54906216
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 43383718
3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 17429130

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 43527201) is 3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide is CN(Cc1cccs1)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is DZOZLKYIHPNNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-15(9-12-6-3-7-17-12)13(16)10-4-2-5-11(14)8-10/h2-8H,9,14H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 246.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 43527201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).