6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H24N2O2S — CID 3243959

IUPAC6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NCCN3CCOCC3)csc2C1
InChIInChI=1S/C16H24N2O2S/c1-12-2-3-13-14(11-21-15(13)10-12)16(19)17-4-5-18-6-8-20-9-7-18/h11-12H,2-10H2,1H3,(H,17,19)
InChIKeyGYKSCGXJFKGAFS-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.93
Rot. Bonds4

About 6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 3243959) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID3243959
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NCCN3CCOCC3)csc2C1
InChIInChI=1S/C16H24N2O2S/c1-12-2-3-13-14(11-21-15(13)10-12)16(19)17-4-5-18-6-8-20-9-7-18/h11-12H,2-10H2,1H3,(H,17,19)
InChIKeyGYKSCGXJFKGAFS-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 3243959) is 6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC1CCc2c(C(=O)NCCN3CCOCC3)csc2C1.
What is the InChIKey of 6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is GYKSCGXJFKGAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-2-3-13-14(11-21-15(13)10-12)16(19)17-4-5-18-6-8-20-9-7-18/h11-12H,2-10H2,1H3,(H,17,19).
What are the key properties of 6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3243959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).