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

C15H21NO2S — CID 79212256

IUPACN-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCCCCN(CCO)C(=O)C1CSc2ccccc21
InChIInChI=1S/C15H21NO2S/c1-2-3-8-16(9-10-17)15(18)13-11-19-14-7-5-4-6-12(13)14/h4-7,13,17H,2-3,8-11H2,1H3
InChIKeyNWOZPJMNUOHPEE-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.50
Rot. Bonds6

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

N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 79212256) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID79212256
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCCCCN(CCO)C(=O)C1CSc2ccccc21
InChIInChI=1S/C15H21NO2S/c1-2-3-8-16(9-10-17)15(18)13-11-19-14-7-5-4-6-12(13)14/h4-7,13,17H,2-3,8-11H2,1H3
InChIKeyNWOZPJMNUOHPEE-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214145
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 103915671
1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one
CID 105086614
1-(2,3-dihydro-1-benzothiophen-3-yl)undecan-1-one
CID 105091464
N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79663417
3-[2,3-dihydro-1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 79212775
2-[[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 124516113
2-[2,3-dihydro-1-benzothiophene-3-carbonyl(methyl)amino]acetic acid
CID 79213652
N-(2-bromoethyl)-N-pentan-3-yl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 80671289
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119584220
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212817
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 79212256) is N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is CCCCN(CCO)C(=O)C1CSc2ccccc21.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is NWOZPJMNUOHPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-2-3-8-16(9-10-17)15(18)13-11-19-14-7-5-4-6-12(13)14/h4-7,13,17H,2-3,8-11H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 279.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 79212256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).