4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide

C17H21N3O2S2 — CID 138753628

IUPAC4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide
SMILESNCCCNC(=O)C1CCC(c2cccc3sc(C(N)=O)cc23)S1
InChIInChI=1S/C17H21N3O2S2/c18-7-2-8-20-17(22)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)16(19)21/h1,3-4,9,13-14H,2,5-8,18H2,(H2,19,21)(H,20,22)
InChIKeyXSNHTZTXEAAUNZ-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.40
Rot. Bonds6

About 4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide

4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 138753628) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID138753628
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC Name4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide
SMILESNCCCNC(=O)C1CCC(c2cccc3sc(C(N)=O)cc23)S1
InChIInChI=1S/C17H21N3O2S2/c18-7-2-8-20-17(22)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)16(19)21/h1,3-4,9,13-14H,2,5-8,18H2,(H2,19,21)(H,20,22)
InChIKeyXSNHTZTXEAAUNZ-UHFFFAOYSA-N
XLogP2.40
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-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

4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
CID 138857435
4-amino-1-benzothiophene-2-carboxamide
CID 142819762
N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119409122
N-(3-aminopropyl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119407943
N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119408439
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
4-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 51095013
4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 30481509
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide
CID 37394280
4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 17411260
4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 114549931

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide (CID 138753628) is 4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide is NCCCNC(=O)C1CCC(c2cccc3sc(C(N)=O)cc23)S1.
What is the InChIKey of 4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is XSNHTZTXEAAUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c18-7-2-8-20-17(22)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)16(19)21/h1,3-4,9,13-14H,2,5-8,18H2,(H2,19,21)(H,20,22).
What are the key properties of 4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide?
4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 138753628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).