N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide

C17H23NO4S — CID 71806235

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide
SMILESCC(O)(CNC(=O)CSC1CCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H23NO4S/c1-17(20,12-6-7-14-15(8-12)22-11-21-14)10-18-16(19)9-23-13-4-2-3-5-13/h6-8,13,20H,2-5,9-11H2,1H3,(H,18,19)
InChIKeyRGGPWPTUTOMNBP-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.41
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide

N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide (PubChem CID 71806235) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide
PubChem CID71806235
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide
SMILESCC(O)(CNC(=O)CSC1CCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H23NO4S/c1-17(20,12-6-7-14-15(8-12)22-11-21-14)10-18-16(19)9-23-13-4-2-3-5-13/h6-8,13,20H,2-5,9-11H2,1H3,(H,18,19)
InChIKeyRGGPWPTUTOMNBP-UHFFFAOYSA-N
XLogP2.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide 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-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 95982857
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-4-tert-butylbenzamide
CID 90497716
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
CID 95982841
2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 97355222
1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(oxan-4-yl)urea
CID 100676018
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-naphthalen-1-ylacetamide
CID 71781897
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(oxan-4-yl)urea
CID 100676004
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71781885
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 71781872
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 95982851
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95982839
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100699977

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide (CID 71806235) is N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide is CC(O)(CNC(=O)CSC1CCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide?
The InChIKey is RGGPWPTUTOMNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-17(20,12-6-7-14-15(8-12)22-11-21-14)10-18-16(19)9-23-13-4-2-3-5-13/h6-8,13,20H,2-5,9-11H2,1H3,(H,18,19).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide?
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide has a molecular weight of 337.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide is sourced from PubChem (CID 71806235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).