N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C16H16N2O3S — CID 70219715

IUPACN-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESC=C(N)c1ccsc1NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O3S/c1-10(17)12-4-7-22-16(12)18-15(19)9-11-2-3-13-14(8-11)21-6-5-20-13/h2-4,7-8H,1,5-6,9,17H2,(H,18,19)
InChIKeyNOORPSSLFHVLEX-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.63
Rot. Bonds4

About N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 70219715) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID70219715
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESC=C(N)c1ccsc1NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O3S/c1-10(17)12-4-7-22-16(12)18-15(19)9-11-2-3-13-14(8-11)21-6-5-20-13/h2-4,7-8H,1,5-6,9,17H2,(H,18,19)
InChIKeyNOORPSSLFHVLEX-UHFFFAOYSA-N
XLogP2.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 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

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
CID 2606705
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate
CID 4785072
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55571557
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
CID 2091135
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17397609
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
2-[[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 9363005
2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 16849419
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26954281
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 3439641
2-(4-aminophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24689811
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
CID 4235872

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 70219715) is N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is C=C(N)c1ccsc1NC(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is NOORPSSLFHVLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10(17)12-4-7-22-16(12)18-15(19)9-11-2-3-13-14(8-11)21-6-5-20-13/h2-4,7-8H,1,5-6,9,17H2,(H,18,19).
What are the key properties of N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethenyl)thiophen-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 70219715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).