N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide

C16H16N2O5S2 — CID 26055162

IUPACN-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H16N2O5S2/c1-2-7-18(25(20,21)16-4-3-8-24-16)10-15(19)17-12-5-6-13-14(9-12)23-11-22-13/h2-6,8-9H,1,7,10-11H2,(H,17,19)
InChIKeyFVKFGRFLRHDDRK-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.29
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 26055162) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID26055162
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H16N2O5S2/c1-2-7-18(25(20,21)16-4-3-8-24-16)10-15(19)17-12-5-6-13-14(9-12)23-11-22-13/h2-6,8-9H,1,7,10-11H2,(H,17,19)
InChIKeyFVKFGRFLRHDDRK-UHFFFAOYSA-N
XLogP2.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]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

N-(4-fluorophenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 26055171
N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 26055182
N-(1,3-benzodioxol-5-yl)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 2355278
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
N-(1,3-benzodioxol-5-yl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148598
methyl 2-[1,3-benzodioxol-5-yl(thiophen-2-ylsulfonyl)amino]acetate
CID 100549320
N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153343
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 31323268
3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115680
N-(1,3-benzodioxol-5-yl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069698
N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807425
N-(1,3-benzodioxol-5-ylmethyl)-2-[methylsulfonyl(prop-2-enyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 42776610

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 26055162) is N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide is C=CCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is FVKFGRFLRHDDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c1-2-7-18(25(20,21)16-4-3-8-24-16)10-15(19)17-12-5-6-13-14(9-12)23-11-22-13/h2-6,8-9H,1,7,10-11H2,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 26055162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).