N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide

C19H21NO3S — CID 17408989

IUPACN-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H21NO3S/c21-19(13-16-10-11-24(22,23)14-16)20-18-9-5-4-8-17(18)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,20,21)
InChIKeyDMUYDQVDWIXSRP-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.04
Rot. Bonds5

About N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide

N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 17408989) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID17408989
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H21NO3S/c21-19(13-16-10-11-24(22,23)14-16)20-18-9-5-4-8-17(18)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,20,21)
InChIKeyDMUYDQVDWIXSRP-UHFFFAOYSA-N
XLogP3.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide 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

2-[(3S)-1,1-dioxothiolan-3-yl]-N-[2-[ethyl(methyl)amino]phenyl]acetamide
CID 95620362
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[ethyl(methyl)amino]phenyl]acetamide
CID 95620361
2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64795292
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 7222858
N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95981194
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 7070783
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184586
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184590
2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide
CID 75521076
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
1-(1,1-dioxothiolan-3-yl)-4-phenylbutan-2-one
CID 105080030
N-(1-benzylpyrazol-4-yl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 97016106

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide (CID 17408989) is N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide is O=C(CC1CCS(=O)(=O)C1)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is DMUYDQVDWIXSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-19(13-16-10-11-24(22,23)14-16)20-18-9-5-4-8-17(18)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,20,21).
What are the key properties of N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 17408989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).