N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide

C15H21NO3S — CID 35371796

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO3S/c1-15(2,3)20-9-14(17)16-7-6-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17)
InChIKeyIEUUFAOCHPRPKQ-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide (PubChem CID 35371796) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide
PubChem CID35371796
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO3S/c1-15(2,3)20-9-14(17)16-7-6-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17)
InChIKeyIEUUFAOCHPRPKQ-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide 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)ethyl]-2-propylsulfanylacetamide
CID 87011212
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methylbutylsulfanyl)acetamide
CID 86836449
3-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]butanamide
CID 115154322
2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 78768343
methyl 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoacetate
CID 14564794
2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 110767389
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 68690999
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 18117931
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethylphenyl)propanamide
CID 18129704

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide (CID 35371796) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide is CC(C)(C)SCC(=O)NCCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide?
The InChIKey is IEUUFAOCHPRPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-15(2,3)20-9-14(17)16-7-6-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide has a molecular weight of 295.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide is sourced from PubChem (CID 35371796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).