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

C16H19ClN2O2S — CID 3142178

IUPAC3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H19ClN2O2S/c17-14-12-4-1-2-5-13(12)22-15(14)16(20)18-6-3-7-19-8-10-21-11-9-19/h1-2,4-5H,3,6-11H2,(H,18,20)
InChIKeyXUMGFEJJNWODCO-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.01
Rot. Bonds5

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

3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide (PubChem CID 3142178) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
PubChem CID3142178
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H19ClN2O2S/c17-14-12-4-1-2-5-13(12)22-15(14)16(20)18-6-3-7-19-8-10-21-11-9-19/h1-2,4-5H,3,6-11H2,(H,18,20)
InChIKeyXUMGFEJJNWODCO-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3579902
4-[[4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 10908617
3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 27887356
3,6-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 121238065
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
3-chloro-N-[3-(3-methylpyrazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 19323905
3-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 24652549
N-(1,3-benzothiazol-2-yl)-3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
CID 29137416
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
3-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzothiophene-2-carboxamide
CID 19326176

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide (CID 3142178) is 3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide is O=C(NCCCN1CCOCC1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is XUMGFEJJNWODCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c17-14-12-4-1-2-5-13(12)22-15(14)16(20)18-6-3-7-19-8-10-21-11-9-19/h1-2,4-5H,3,6-11H2,(H,18,20).
What are the key properties of 3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 338.86 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 3142178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).