N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C19H29N3O3S — CID 26551661

IUPACN-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOCCNC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCCC2
InChIInChI=1S/C19H29N3O3S/c1-25-12-9-20-18(24)17-14-7-3-4-8-15(14)26-19(17)21-16(23)13-22-10-5-2-6-11-22/h2-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyQZMXWWOWMIDWTC-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.43
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 26551661) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID26551661
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOCCNC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCCC2
InChIInChI=1S/C19H29N3O3S/c1-25-12-9-20-18(24)17-14-7-3-4-8-15(14)26-19(17)21-16(23)13-22-10-5-2-6-11-22/h2-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyQZMXWWOWMIDWTC-UHFFFAOYSA-N
XLogP2.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 26551661) is N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is COCCNC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCCC2.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is QZMXWWOWMIDWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-25-12-9-20-18(24)17-14-7-3-4-8-15(14)26-19(17)21-16(23)13-22-10-5-2-6-11-22/h2-13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 26551661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).