2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide

C14H20N2O6S — CID 2219429

IUPAC2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C14H20N2O6S/c1-20-7-3-6-15-14(17)9-16(23(2,18)19)11-4-5-12-13(8-11)22-10-21-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyUCGFBRJDJILKKM-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.33
Rot. Bonds8

About 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide

2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 2219429) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID2219429
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C14H20N2O6S/c1-20-7-3-6-15-14(17)9-16(23(2,18)19)11-4-5-12-13(8-11)22-10-21-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyUCGFBRJDJILKKM-UHFFFAOYSA-N
XLogP0.33
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)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-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(2-methoxyethyl)acetamide
CID 113156555
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30248576
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30248640
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 9172892
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 2243415
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30248651
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 51200052
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetamide
CID 1090564
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide
CID 113071629

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide (CID 2219429) is 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O.
What is the InChIKey of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is UCGFBRJDJILKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-20-7-3-6-15-14(17)9-16(23(2,18)19)11-4-5-12-13(8-11)22-10-21-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide?
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 2219429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).