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

C13H17NO3S — CID 79214145

IUPACN,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(C1CSc2ccccc21)N(CCO)CCO
InChIInChI=1S/C13H17NO3S/c15-7-5-14(6-8-16)13(17)11-9-18-12-4-2-1-3-10(11)12/h1-4,11,15-16H,5-9H2
InChIKeyPMUNIZVCGNEQRX-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.69
Rot. Bonds5

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

N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 79214145) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID79214145
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(C1CSc2ccccc21)N(CCO)CCO
InChIInChI=1S/C13H17NO3S/c15-7-5-14(6-8-16)13(17)11-9-18-12-4-2-1-3-10(11)12/h1-4,11,15-16H,5-9H2
InChIKeyPMUNIZVCGNEQRX-UHFFFAOYSA-N
XLogP0.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-bis(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-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212256
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 103915671
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-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212817
3-[2,3-dihydro-1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 79212775
N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79663417
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61233966
N-(2-bromoethyl)-N-pentan-3-yl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 80671289
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211884

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 79214145) is N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is O=C(C1CSc2ccccc21)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is PMUNIZVCGNEQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-7-5-14(6-8-16)13(17)11-9-18-12-4-2-1-3-10(11)12/h1-4,11,15-16H,5-9H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 79214145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).