N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C19H19NO3S — CID 51314657

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)C1Cc2ccccc2S1
InChIInChI=1S/C19H19NO3S/c1-2-20(11-13-7-8-15-16(9-13)23-12-22-15)19(21)18-10-14-5-3-4-6-17(14)24-18/h3-9,18H,2,10-12H2,1H3
InChIKeyRVCYPQBTQPHLLK-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.48
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 51314657) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID51314657
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)C1Cc2ccccc2S1
InChIInChI=1S/C19H19NO3S/c1-2-20(11-13-7-8-15-16(9-13)23-12-22-15)19(21)18-10-14-5-3-4-6-17(14)24-18/h3-9,18H,2,10-12H2,1H3
InChIKeyRVCYPQBTQPHLLK-UHFFFAOYSA-N
XLogP3.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 78982492
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46420836
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 86978498
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 63788319
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119690221
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(thiophene-2-carbonyl)benzamide
CID 51190159
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 51314657) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is RVCYPQBTQPHLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-2-20(11-13-7-8-15-16(9-13)23-12-22-15)19(21)18-10-14-5-3-4-6-17(14)24-18/h3-9,18H,2,10-12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51314657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).