3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide

C15H16Cl2N2O2S — CID 980359

IUPAC3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H16Cl2N2O2S/c16-10-1-2-11-12(9-10)22-14(13(11)17)15(20)18-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H,18,20)
InChIKeyNGZZPFOJYLVPKJ-UHFFFAOYSA-N
MW359.28 g/mol
LogP3.27
Rot. Bonds4

About 3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide

3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 980359) has the molecular formula C15H16Cl2N2O2S and a molecular weight of 359.28 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID980359
Molecular FormulaC15H16Cl2N2O2S
Molecular Weight359.28 g/mol
Exact Mass358.03
IUPAC Name3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H16Cl2N2O2S/c16-10-1-2-11-12(9-10)22-14(13(11)17)15(20)18-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H,18,20)
InChIKeyNGZZPFOJYLVPKJ-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide (CID 980359) is 3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide is O=C(NCCN1CCOCC1)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is NGZZPFOJYLVPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S/c16-10-1-2-11-12(9-10)22-14(13(11)17)15(20)18-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H,18,20).
What are the key properties of 3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 359.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 980359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).