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

C19H22N2O3S — CID 1111969

IUPAC2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(CCO)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2
InChIInChI=1S/C19H22N2O3S/c1-21(11-12-22)19(24)16-14-9-5-6-10-15(14)25-18(16)20-17(23)13-7-3-2-4-8-13/h2-4,7-8,22H,5-6,9-12H2,1H3,(H,20,23)
InChIKeyMGWNPYXVQCNQPV-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.94
Rot. Bonds5

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

2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 1111969) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID1111969
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(CCO)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2
InChIInChI=1S/C19H22N2O3S/c1-21(11-12-22)19(24)16-14-9-5-6-10-15(14)25-18(16)20-17(23)13-7-3-2-4-8-13/h2-4,7-8,22H,5-6,9-12H2,1H3,(H,20,23)
InChIKeyMGWNPYXVQCNQPV-UHFFFAOYSA-N
XLogP2.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 1111969) is 2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CN(CCO)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2.
What is the InChIKey of 2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is MGWNPYXVQCNQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-21(11-12-22)19(24)16-14-9-5-6-10-15(14)25-18(16)20-17(23)13-7-3-2-4-8-13/h2-4,7-8,22H,5-6,9-12H2,1H3,(H,20,23).
What are the key properties of 2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(2-hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1111969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).