N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide

C22H26N2O5S — CID 2997518

IUPACN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H26N2O5S/c1-2-24(14-21(25)23-18-12-13-30(27,28)16-18)22(26)15-29-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,23,25)
InChIKeyJLXWZBWIENDDRY-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.88
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide (PubChem CID 2997518) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
PubChem CID2997518
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H26N2O5S/c1-2-24(14-21(25)23-18-12-13-30(27,28)16-18)22(26)15-29-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,23,25)
InChIKeyJLXWZBWIENDDRY-UHFFFAOYSA-N
XLogP1.88
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]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-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide (CID 2997518) is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide?
The InChIKey is JLXWZBWIENDDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-2-24(14-21(25)23-18-12-13-30(27,28)16-18)22(26)15-29-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,23,25).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide has a molecular weight of 430.53 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 2997518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).