N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide

C12H17NO5S — CID 170830247

IUPACN-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1csc(C2OCCO2)c1
InChIInChI=1S/C12H17NO5S/c1-7(14)13-5-9(15)11(16)8-4-10(19-6-8)12-17-2-3-18-12/h4,6,9,11-12,15-16H,2-3,5H2,1H3,(H,13,14)
InChIKeyQCPOAWQWEPYRHY-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.32
Rot. Bonds5

About N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide

N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide (PubChem CID 170830247) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide
PubChem CID170830247
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC NameN-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1csc(C2OCCO2)c1
InChIInChI=1S/C12H17NO5S/c1-7(14)13-5-9(15)11(16)8-4-10(19-6-8)12-17-2-3-18-12/h4,6,9,11-12,15-16H,2-3,5H2,1H3,(H,13,14)
InChIKeyQCPOAWQWEPYRHY-UHFFFAOYSA-N
XLogP0.32
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide (CID 170830247) is N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1csc(C2OCCO2)c1.
What is the InChIKey of N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide?
The InChIKey is QCPOAWQWEPYRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-7(14)13-5-9(15)11(16)8-4-10(19-6-8)12-17-2-3-18-12/h4,6,9,11-12,15-16H,2-3,5H2,1H3,(H,13,14).
What are the key properties of N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide?
N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide has a molecular weight of 287.34 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).