N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C13H17NO2S — CID 51309548

IUPACN-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOCCCNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C13H17NO2S/c1-16-8-4-7-14-13(15)12-9-10-5-2-3-6-11(10)17-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,14,15)
InChIKeyPXXHTRVWSKYIEY-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.86
Rot. Bonds5

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

N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 51309548) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID51309548
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOCCCNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C13H17NO2S/c1-16-8-4-7-14-13(15)12-9-10-5-2-3-6-11(10)17-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,14,15)
InChIKeyPXXHTRVWSKYIEY-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-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-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 113274486
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-[3-[benzyl(methyl)amino]propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42896202
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 77097356
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-(1-bromo-3-methoxypropan-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114155388
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
N-(3-bromo-2-methylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114313238
N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4903679

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 51309548) is N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is COCCCNC(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is PXXHTRVWSKYIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-16-8-4-7-14-13(15)12-9-10-5-2-3-6-11(10)17-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,14,15).
What are the key properties of N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51309548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).