N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H24N2OS — CID 3241911

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1csc2c1CCCC2
InChIInChI=1S/C16H24N2OS/c1-2-18-9-5-6-12(18)10-17-16(19)14-11-20-15-8-4-3-7-13(14)15/h11-12H,2-10H2,1H3,(H,17,19)
InChIKeyXADUKQFKAYCIHG-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.84
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 3241911) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID3241911
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1csc2c1CCCC2
InChIInChI=1S/C16H24N2OS/c1-2-18-9-5-6-12(18)10-17-16(19)14-11-20-15-8-4-3-7-13(14)15/h11-12H,2-10H2,1H3,(H,17,19)
InChIKeyXADUKQFKAYCIHG-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 3241911) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCN1CCCC1CNC(=O)c1csc2c1CCCC2.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is XADUKQFKAYCIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-18-9-5-6-12(18)10-17-16(19)14-11-20-15-8-4-3-7-13(14)15/h11-12H,2-10H2,1H3,(H,17,19).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3241911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).