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

C15H17ClN2O2S — CID 678100

IUPAC3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H17ClN2O2S/c16-13-11-3-1-2-4-12(11)21-14(13)15(19)17-5-6-18-7-9-20-10-8-18/h1-4H,5-10H2,(H,17,19)
InChIKeyHINASDBVONOQNS-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.62
Rot. Bonds4

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

3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 678100) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID678100
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H17ClN2O2S/c16-13-11-3-1-2-4-12(11)21-14(13)15(19)17-5-6-18-7-9-20-10-8-18/h1-4H,5-10H2,(H,17,19)
InChIKeyHINASDBVONOQNS-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 2853923
6-chloro-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 10232332
7-chloro-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 23626900
3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 673330
N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 2464066
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 18163749
(3-Chloro-4-fluoro-1-benzothiophen-2-yl)(2,6-dimethylmorpholin-4-yl)methanone
CID 2971473
3,6-dichloro-N-(2-morpholinoethyl)benzo[b]thiophene-2-carboxamide
CID 980359
4-chloro-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 10167532
5-chloro-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 10232331
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-2-carboxamide
CID 24758175
Benzo[b]thiophen-2-yl(morpholino)methanone
CID 2798285

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide (CID 678100) is 3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide is O=C(NCCN1CCOCC1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is HINASDBVONOQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-13-11-3-1-2-4-12(11)21-14(13)15(19)17-5-6-18-7-9-20-10-8-18/h1-4H,5-10H2,(H,17,19).
What are the key properties of 3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 678100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).