3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide

C19H19ClN2O2S2 — CID 24652549

IUPAC3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H19ClN2O2S2/c20-17-13-4-1-2-5-15(13)26-18(17)19(23)21-12-14(16-6-3-11-25-16)22-7-9-24-10-8-22/h1-6,11,14H,7-10,12H2,(H,21,23)
InChIKeyOWDMLSPJTZDFAU-UHFFFAOYSA-N
MW406.96 g/mol
LogP4.42
Rot. Bonds5

About 3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 24652549) has the molecular formula C19H19ClN2O2S2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID24652549
Molecular FormulaC19H19ClN2O2S2
Molecular Weight406.96 g/mol
Exact Mass406.06
IUPAC Name3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H19ClN2O2S2/c20-17-13-4-1-2-5-15(13)26-18(17)19(23)21-12-14(16-6-3-11-25-16)22-7-9-24-10-8-22/h1-6,11,14H,7-10,12H2,(H,21,23)
InChIKeyOWDMLSPJTZDFAU-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
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4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide (CID 24652549) is 3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide is O=C(NCC(c1cccs1)N1CCOCC1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is OWDMLSPJTZDFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S2/c20-17-13-4-1-2-5-15(13)26-18(17)19(23)21-12-14(16-6-3-11-25-16)22-7-9-24-10-8-22/h1-6,11,14H,7-10,12H2,(H,21,23).
What are the key properties of 3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 406.96 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24652549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).