N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide

C15H15NO3S — CID 9112024

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO3S/c17-15(6-4-12-2-1-7-20-12)16-9-11-3-5-13-14(8-11)19-10-18-13/h1-3,5,7-8H,4,6,9-10H2,(H,16,17)
InChIKeyDXKRXEKTOHWLPP-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.73
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide (PubChem CID 9112024) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
PubChem CID9112024
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO3S/c17-15(6-4-12-2-1-7-20-12)16-9-11-3-5-13-14(8-11)19-10-18-13/h1-3,5,7-8H,4,6,9-10H2,(H,16,17)
InChIKeyDXKRXEKTOHWLPP-UHFFFAOYSA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide 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-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-ylpentanamide
CID 110297708
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylsulfonylpropanamide
CID 22422237
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110615618
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetamide
CID 8906099
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 39361390
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110783577
N-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208425
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38885147
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
CID 3238528

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide (CID 9112024) is N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is DXKRXEKTOHWLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-15(6-4-12-2-1-7-20-12)16-9-11-3-5-13-14(8-11)19-10-18-13/h1-3,5,7-8H,4,6,9-10H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 289.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 9112024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).