(2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C15H19NO2S — CID 99778566

IUPAC(2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C([C@@H]1Cc2ccccc2S1)N(CCO)C1CCC1
InChIInChI=1S/C15H19NO2S/c17-9-8-16(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)19-14/h1-2,4,7,12,14,17H,3,5-6,8-10H2/t14-/m0/s1
InChIKeyDNDDTJLTWRCXIC-AWEZNQCLSA-N
MW277.39 g/mol
LogP2.08
Rot. Bonds4

About (2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

(2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 99778566) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID99778566
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C([C@@H]1Cc2ccccc2S1)N(CCO)C1CCC1
InChIInChI=1S/C15H19NO2S/c17-9-8-16(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)19-14/h1-2,4,7,12,14,17H,3,5-6,8-10H2/t14-/m0/s1
InChIKeyDNDDTJLTWRCXIC-AWEZNQCLSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 102684830
(2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 95895548
cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone
CID 130171257
N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119443019
N-(2-bromoethyl)-N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 80661402
N-(2-chlorocyclohexyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 102638218
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 107492609
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide
CID 102684551
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79700880
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 115701247
N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 102684944
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112723313

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 99778566) is (2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C([C@@H]1Cc2ccccc2S1)N(CCO)C1CCC1.
What is the InChIKey of (2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is DNDDTJLTWRCXIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19NO2S/c17-9-8-16(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)19-14/h1-2,4,7,12,14,17H,3,5-6,8-10H2/t14-/m0/s1.
What are the key properties of (2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 99778566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).