1-[2-(benzylamino)thiophen-3-yl]ethanone

C13H13NOS — CID 130875464

IUPAC1-[2-(benzylamino)thiophen-3-yl]ethanone
SMILESCC(=O)c1ccsc1NCc1ccccc1
InChIInChI=1S/C13H13NOS/c1-10(15)12-7-8-16-13(12)14-9-11-5-3-2-4-6-11/h2-8,14H,9H2,1H3
InChIKeyIOKUQVVXLMIMTK-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.56
Rot. Bonds4

About 1-[2-(benzylamino)thiophen-3-yl]ethanone

1-[2-(benzylamino)thiophen-3-yl]ethanone (PubChem CID 130875464) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-[2-(benzylamino)thiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(benzylamino)thiophen-3-yl]ethanone
PubChem CID130875464
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-[2-(benzylamino)thiophen-3-yl]ethanone
SMILESCC(=O)c1ccsc1NCc1ccccc1
InChIInChI=1S/C13H13NOS/c1-10(15)12-7-8-16-13(12)14-9-11-5-3-2-4-6-11/h2-8,14H,9H2,1H3
InChIKeyIOKUQVVXLMIMTK-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-phenylthiophene-3-carboxamide
CID 901593
N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide
CID 143265172
benzyl 4-acetyl-5-(benzylamino)-3-methylthiophene-2-carboxylate
CID 167489003
methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167092
[2-(benzylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3266695
7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid
CID 152718891
4-(benzylamino)thiophene-2-carboxylic acid;ethane
CID 169152149
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
N'-[4-(benzylamino)phenyl]acetohydrazide
CID 21427829
N-benzyl-4-ethyl-1,3-thiazol-5-amine
CID 175257011
2-(ethylamino)thiophene-3-carboxamide
CID 63089344
2-(pentylamino)thiophene-3-carboxylic acid
CID 67837297

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)thiophen-3-yl]ethanone?
The IUPAC name of 1-[2-(benzylamino)thiophen-3-yl]ethanone (CID 130875464) is 1-[2-(benzylamino)thiophen-3-yl]ethanone.
What is the SMILES notation for 1-[2-(benzylamino)thiophen-3-yl]ethanone?
The canonical SMILES for 1-[2-(benzylamino)thiophen-3-yl]ethanone is CC(=O)c1ccsc1NCc1ccccc1.
What is the InChIKey of 1-[2-(benzylamino)thiophen-3-yl]ethanone?
The InChIKey is IOKUQVVXLMIMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10(15)12-7-8-16-13(12)14-9-11-5-3-2-4-6-11/h2-8,14H,9H2,1H3.
What are the key properties of 1-[2-(benzylamino)thiophen-3-yl]ethanone?
1-[2-(benzylamino)thiophen-3-yl]ethanone has a molecular weight of 231.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)thiophen-3-yl]ethanone is sourced from PubChem (CID 130875464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).