3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide

C11H9Cl2NOS — CID 47099946

IUPAC3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C11H9Cl2NOS/c1-2-14-11(15)10-9(13)7-4-3-6(12)5-8(7)16-10/h3-5H,2H2,1H3,(H,14,15)
InChIKeyWLVMAGVZRIKJDX-UHFFFAOYSA-N
MW274.17 g/mol
LogP3.96
Rot. Bonds2

About 3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide

3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide (PubChem CID 47099946) has the molecular formula C11H9Cl2NOS and a molecular weight of 274.17 g/mol. Its IUPAC name is 3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
PubChem CID47099946
Molecular FormulaC11H9Cl2NOS
Molecular Weight274.17 g/mol
Exact Mass272.98
IUPAC Name3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C11H9Cl2NOS/c1-2-14-11(15)10-9(13)7-4-3-6(12)5-8(7)16-10/h3-5H,2H2,1H3,(H,14,15)
InChIKeyWLVMAGVZRIKJDX-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)-1-benzothiophene-2-carboxamide
CID 65112198
N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 60675704
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
N-(3-aminopropyl)-3,6-dichloro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119408040
3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919460
3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide
CID 112792900
3,6-dichloro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43390254
3,6-dichloro-N-(3,3-difluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103769879
[2-(ethylamino)-2-oxoethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate
CID 3962744
3,6-dichloro-N-(1-hydroxypropan-2-yl)-1-benzothiophene-2-carboxamide
CID 43418822
3,6-dichloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9120055
(2R)-2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 80749074

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide (CID 47099946) is 3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide is CCNC(=O)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide?
The InChIKey is WLVMAGVZRIKJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NOS/c1-2-14-11(15)10-9(13)7-4-3-6(12)5-8(7)16-10/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide has a molecular weight of 274.17 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 47099946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).