N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide

C24H30N2O5S — CID 42904172

IUPACN-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide
SMILESCC(C)CN(C(=O)COc1ccccc1C(=O)NCc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H30N2O5S/c1-18(2)15-26(20-12-13-32(29,30)17-20)23(27)16-31-22-11-7-6-10-21(22)24(28)25-14-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,25,28)
InChIKeyWOTSOZLUWKSSTE-UHFFFAOYSA-N
MW458.58 g/mol
LogP2.67
Rot. Bonds9

About N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide

N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide (PubChem CID 42904172) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide
PubChem CID42904172
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC NameN-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide
SMILESCC(C)CN(C(=O)COc1ccccc1C(=O)NCc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H30N2O5S/c1-18(2)15-26(20-12-13-32(29,30)17-20)23(27)16-31-22-11-7-6-10-21(22)24(28)25-14-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,25,28)
InChIKeyWOTSOZLUWKSSTE-UHFFFAOYSA-N
XLogP2.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide 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

Sultopride
CID 5357
N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 662928
N-(1,1-dioxidotetrahydrothien-3-yl)-N-(2-furylmethyl)-2-methoxybenzamide
CID 664384
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 665548
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 665645
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 665764
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 2990516
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate
CID 2998171
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2999280
N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]-N-methylbenzamide
CID 3237396
N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxybenzamide
CID 3543025
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide
CID 3639548

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide (CID 42904172) is N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide is CC(C)CN(C(=O)COc1ccccc1C(=O)NCc1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide?
The InChIKey is WOTSOZLUWKSSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-18(2)15-26(20-12-13-32(29,30)17-20)23(27)16-31-22-11-7-6-10-21(22)24(28)25-14-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,25,28).
What are the key properties of N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide?
N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide has a molecular weight of 458.58 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 42904172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).