2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide

C12H12ClNOS — CID 67581521

IUPAC2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide
SMILESCCNC(=O)Cc1csc2ccc(Cl)cc12
InChIInChI=1S/C12H12ClNOS/c1-2-14-12(15)5-8-7-16-11-4-3-9(13)6-10(8)11/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyHGICLNORMFGKME-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.23
Rot. Bonds3

About 2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide

2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide (PubChem CID 67581521) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide
PubChem CID67581521
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide
SMILESCCNC(=O)Cc1csc2ccc(Cl)cc12
InChIInChI=1S/C12H12ClNOS/c1-2-14-12(15)5-8-7-16-11-4-3-9(13)6-10(8)11/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyHGICLNORMFGKME-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide (CID 67581521) is 2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide is CCNC(=O)Cc1csc2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide?
The InChIKey is HGICLNORMFGKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-2-14-12(15)5-8-7-16-11-4-3-9(13)6-10(8)11/h3-4,6-7H,2,5H2,1H3,(H,14,15).
What are the key properties of 2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide?
2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide has a molecular weight of 253.75 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide is sourced from PubChem (CID 67581521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).