N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C17H26N2O2S — CID 17447013

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc2c(s1)CCCC2)N1CCOCC1
InChIInChI=1S/C17H26N2O2S/c1-17(2,19-7-9-21-10-8-19)12-18-16(20)15-11-13-5-3-4-6-14(13)22-15/h11H,3-10,12H2,1-2H3,(H,18,20)
InChIKeyQYGIHBMWIILFNY-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.47
Rot. Bonds4

About N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 17447013) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID17447013
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc2c(s1)CCCC2)N1CCOCC1
InChIInChI=1S/C17H26N2O2S/c1-17(2,19-7-9-21-10-8-19)12-18-16(20)15-11-13-5-3-4-6-14(13)22-15/h11H,3-10,12H2,1-2H3,(H,18,20)
InChIKeyQYGIHBMWIILFNY-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 17447013) is N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CC(C)(CNC(=O)c1cc2c(s1)CCCC2)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is QYGIHBMWIILFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-17(2,19-7-9-21-10-8-19)12-18-16(20)15-11-13-5-3-4-6-14(13)22-15/h11H,3-10,12H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17447013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).