3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide

C14H13Cl2NO2S — CID 3118316

IUPAC3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-8-3-4-10-11(6-8)20-13(12(10)16)14(18)17-7-9-2-1-5-19-9/h3-4,6,9H,1-2,5,7H2,(H,17,18)
InChIKeyHFCSBQVBMRLYQE-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.12
Rot. Bonds3

About 3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide

3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 3118316) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID3118316
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-8-3-4-10-11(6-8)20-13(12(10)16)14(18)17-7-9-2-1-5-19-9/h3-4,6,9H,1-2,5,7H2,(H,17,18)
InChIKeyHFCSBQVBMRLYQE-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 2853923
3,6-Dichloro-N-cyclopropylbenzo[b]thiophene-2-carboxamide
CID 9079896
7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602796
3,6-dichloro-N-(2-morpholinoethyl)benzo[b]thiophene-2-carboxamide
CID 980359
3-chloro-N-[2-(morpholin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 678100
(3-chloro-1-benzothiophen-2-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 889570
(3-chloro-1-benzothiophen-2-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 889571
3-chloro-6-methyl-N-(tetrahydro-2-furanylmethyl)-1-benzothiophene-2-carboxamide
CID 2878759
4-(3-Chloro-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine
CID 2938150
(3,6-dichloro-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27232626
(2-Amino-2-oxoethyl) 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2441502
3-Chlorobenzo[b]thiophen-2-yl morpholin-4-yl ketone
CID 748154

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide (CID 3118316) is 3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide is O=C(NCC1CCCO1)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is HFCSBQVBMRLYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c15-8-3-4-10-11(6-8)20-13(12(10)16)14(18)17-7-9-2-1-5-19-9/h3-4,6,9H,1-2,5,7H2,(H,17,18).
What are the key properties of 3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 330.24 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 3118316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).