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

C14H16N2OS — CID 60940215

IUPAC3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cccc(N)c1
InChIInChI=1S/C14H16N2OS/c1-2-16(10-13-7-4-8-18-13)14(17)11-5-3-6-12(15)9-11/h3-9H,2,10,15H2,1H3
InChIKeyAFTCTEJAZQIKJW-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.99
Rot. Bonds4

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

3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 60940215) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID60940215
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cccc(N)c1
InChIInChI=1S/C14H16N2OS/c1-2-16(10-13-7-4-8-18-13)14(17)11-5-3-6-12(15)9-11/h3-9H,2,10,15H2,1H3
InChIKeyAFTCTEJAZQIKJW-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.99
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-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
N-ethyl-3-(N'-hydroxycarbamimidoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 76904150
N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78811486
3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 61106292
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
N-ethyl-4-hydrazinyl-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 63211798
4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730228

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (CID 60940215) is 3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is AFTCTEJAZQIKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-16(10-13-7-4-8-18-13)14(17)11-5-3-6-12(15)9-11/h3-9H,2,10,15H2,1H3.
What are the key properties of 3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 260.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 60940215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).