2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide

C16H21NO4S — CID 127717793

IUPAC2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide
SMILESO=C(NCC1CS(=O)(=O)CCO1)C(c1ccccc1)C1CC1
InChIInChI=1S/C16H21NO4S/c18-16(17-10-14-11-22(19,20)9-8-21-14)15(13-6-7-13)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,17,18)
InChIKeyHWPAOTNUURATHP-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.11
Rot. Bonds5

About 2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide

2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide (PubChem CID 127717793) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide
PubChem CID127717793
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Name2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide
SMILESO=C(NCC1CS(=O)(=O)CCO1)C(c1ccccc1)C1CC1
InChIInChI=1S/C16H21NO4S/c18-16(17-10-14-11-22(19,20)9-8-21-14)15(13-6-7-13)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,17,18)
InChIKeyHWPAOTNUURATHP-UHFFFAOYSA-N
XLogP1.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide 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 2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of 2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide (CID 127717793) is 2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide is O=C(NCC1CS(=O)(=O)CCO1)C(c1ccccc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide?
The InChIKey is HWPAOTNUURATHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c18-16(17-10-14-11-22(19,20)9-8-21-14)15(13-6-7-13)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,17,18).
What are the key properties of 2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide?
2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide has a molecular weight of 323.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 127717793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).