N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide

C20H22N2O5S — CID 3237396

IUPACN-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C20H22N2O5S/c1-22(20(24)15-5-3-2-4-6-15)17-7-9-18(10-8-17)27-13-19(23)21-16-11-12-28(25,26)14-16/h2-10,16H,11-14H2,1H3,(H,21,23)
InChIKeyDTJBRWUBZRZZOJ-UHFFFAOYSA-N
MW402.47 g/mol
LogP1.65
Rot. Bonds6

About N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide

N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide (PubChem CID 3237396) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide
PubChem CID3237396
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C20H22N2O5S/c1-22(20(24)15-5-3-2-4-6-15)17-7-9-18(10-8-17)27-13-19(23)21-16-11-12-28(25,26)14-16/h2-10,16H,11-14H2,1H3,(H,21,23)
InChIKeyDTJBRWUBZRZZOJ-UHFFFAOYSA-N
XLogP1.65
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide 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-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide?
The IUPAC name of N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide (CID 3237396) is N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide.
What is the SMILES notation for N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide?
The canonical SMILES for N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide is CN(C(=O)c1ccccc1)c1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide?
The InChIKey is DTJBRWUBZRZZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-22(20(24)15-5-3-2-4-6-15)17-7-9-18(10-8-17)27-13-19(23)21-16-11-12-28(25,26)14-16/h2-10,16H,11-14H2,1H3,(H,21,23).
What are the key properties of N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide?
N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide has a molecular weight of 402.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide is sourced from PubChem (CID 3237396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).