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

C11H15NO2S — CID 3865055

IUPACN-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCCO)c1cc2c(s1)CCCC2
InChIInChI=1S/C11H15NO2S/c13-6-5-12-11(14)10-7-8-3-1-2-4-9(8)15-10/h7,13H,1-6H2,(H,12,14)
InChIKeyNDIHTLBDPMZCKH-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.35
Rot. Bonds3

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

N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 3865055) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID3865055
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCCO)c1cc2c(s1)CCCC2
InChIInChI=1S/C11H15NO2S/c13-6-5-12-11(14)10-7-8-3-1-2-4-9(8)15-10/h7,13H,1-6H2,(H,12,14)
InChIKeyNDIHTLBDPMZCKH-UHFFFAOYSA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 3865055) is N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is O=C(NCCO)c1cc2c(s1)CCCC2.
What is the InChIKey of N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is NDIHTLBDPMZCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-6-5-12-11(14)10-7-8-3-1-2-4-9(8)15-10/h7,13H,1-6H2,(H,12,14).
What are the key properties of N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 225.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 3865055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).