N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide

C14H20N2O5S — CID 113071629

IUPACN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide
SMILESCCCC(=O)NCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C14H20N2O5S/c1-3-4-14(17)15-7-8-16(22(2,18)19)11-5-6-12-13(9-11)21-10-20-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyZSPQIWGBPRNMRO-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.10
Rot. Bonds7

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

N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide (PubChem CID 113071629) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide
PubChem CID113071629
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC NameN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide
SMILESCCCC(=O)NCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C14H20N2O5S/c1-3-4-14(17)15-7-8-16(22(2,18)19)11-5-6-12-13(9-11)21-10-20-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyZSPQIWGBPRNMRO-UHFFFAOYSA-N
XLogP1.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide 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-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113071655
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113071662
3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113146189
N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide
CID 113072460
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
CID 113071641
4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]butanamide
CID 53282296
4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-cyclopropylbutanamide
CID 53282255
3-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113146149
4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]butanamide
CID 100577711
4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)butanamide
CID 133250557
N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide
CID 113071066
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide
CID 113062939

Frequently Asked Questions

What is the IUPAC name of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide?
The IUPAC name of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide (CID 113071629) is N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide.
What is the SMILES notation for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide?
The canonical SMILES for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide is CCCC(=O)NCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O.
What is the InChIKey of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide?
The InChIKey is ZSPQIWGBPRNMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-4-14(17)15-7-8-16(22(2,18)19)11-5-6-12-13(9-11)21-10-20-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide?
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide has a molecular weight of 328.39 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide is sourced from PubChem (CID 113071629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).