3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide

C17H20ClFN2O2S — CID 2444028

IUPAC3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1sc2cc(F)ccc2c1Cl)N1CCOCC1
InChIInChI=1S/C17H20ClFN2O2S/c1-17(2,21-5-7-23-8-6-21)10-20-16(22)15-14(18)12-4-3-11(19)9-13(12)24-15/h3-4,9H,5-8,10H2,1-2H3,(H,20,22)
InChIKeyMHGIPGTXGKGTPZ-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.53
Rot. Bonds4

About 3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide

3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide (PubChem CID 2444028) has the molecular formula C17H20ClFN2O2S and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
PubChem CID2444028
Molecular FormulaC17H20ClFN2O2S
Molecular Weight370.88 g/mol
Exact Mass370.09
IUPAC Name3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1sc2cc(F)ccc2c1Cl)N1CCOCC1
InChIInChI=1S/C17H20ClFN2O2S/c1-17(2,21-5-7-23-8-6-21)10-20-16(22)15-14(18)12-4-3-11(19)9-13(12)24-15/h3-4,9H,5-8,10H2,1-2H3,(H,20,22)
InChIKeyMHGIPGTXGKGTPZ-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide (CID 2444028) is 3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide is CC(C)(CNC(=O)c1sc2cc(F)ccc2c1Cl)N1CCOCC1.
What is the InChIKey of 3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is MHGIPGTXGKGTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O2S/c1-17(2,21-5-7-23-8-6-21)10-20-16(22)15-14(18)12-4-3-11(19)9-13(12)24-15/h3-4,9H,5-8,10H2,1-2H3,(H,20,22).
What are the key properties of 3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2444028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).