N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide

C20H23NO3S — CID 102566702

IUPACN-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
SMILESCc1ccc(N(C(=O)Cc2ccccc2)C2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C20H23NO3S/c1-15-8-9-18(12-16(15)2)21(19-10-11-25(23,24)14-19)20(22)13-17-6-4-3-5-7-17/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyKKBOBOUYDMLZAU-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.07
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide

N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide (PubChem CID 102566702) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
PubChem CID102566702
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
SMILESCc1ccc(N(C(=O)Cc2ccccc2)C2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C20H23NO3S/c1-15-8-9-18(12-16(15)2)21(19-10-11-25(23,24)14-19)20(22)13-17-6-4-3-5-7-17/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyKKBOBOUYDMLZAU-UHFFFAOYSA-N
XLogP3.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-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

Related Compounds

N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7115982
N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide
CID 102566160
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide
CID 112983871
2-chloro-N-(3,4-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 46398649
2-benzylsulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7377168
2-(2,4-dimethylphenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7458563
N-(2,5-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 102566324
2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(hydroxymethyl)phenyl]acetamide
CID 99976451
2-(4-chloro-2-methoxy-5-methylanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 39975418
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-phenylacetamide
CID 8928828
N-(5-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 102565863
[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-phenylacetate
CID 7697884

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide (CID 102566702) is N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide is Cc1ccc(N(C(=O)Cc2ccccc2)C2CCS(=O)(=O)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide?
The InChIKey is KKBOBOUYDMLZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-15-8-9-18(12-16(15)2)21(19-10-11-25(23,24)14-19)20(22)13-17-6-4-3-5-7-17/h3-9,12,19H,10-11,13-14H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide?
N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide has a molecular weight of 357.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide is sourced from PubChem (CID 102566702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).