N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide

C14H15NO2S — CID 113340648

IUPACN-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide
SMILESC=CCN(CCO)C(=O)c1csc2ccccc12
InChIInChI=1S/C14H15NO2S/c1-2-7-15(8-9-16)14(17)12-10-18-13-6-4-3-5-11(12)13/h2-6,10,16H,1,7-9H2
InChIKeyHNZHDJCHNGQPKM-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.52
Rot. Bonds5

About N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide

N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide (PubChem CID 113340648) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide
PubChem CID113340648
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide
SMILESC=CCN(CCO)C(=O)c1csc2ccccc12
InChIInChI=1S/C14H15NO2S/c1-2-7-15(8-9-16)14(17)12-10-18-13-6-4-3-5-11(12)13/h2-6,10,16H,1,7-9H2
InChIKeyHNZHDJCHNGQPKM-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide
CID 54942944
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
N-(2-hydroxyethyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 55013217
2-[1-benzothiophene-3-carbonyl(carboxymethyl)amino]acetic acid
CID 63650829
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-benzothiophene-3-carboxamide
CID 107490860
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 62682956
N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide
CID 115776106
N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide
CID 115776313
3-[1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827586
N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
CID 112826472
2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115775854

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide (CID 113340648) is N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide is C=CCN(CCO)C(=O)c1csc2ccccc12.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide?
The InChIKey is HNZHDJCHNGQPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-7-15(8-9-16)14(17)12-10-18-13-6-4-3-5-11(12)13/h2-6,10,16H,1,7-9H2.
What are the key properties of N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide?
N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 113340648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).