2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide

C14H20N2O3S — CID 106151502

IUPAC2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-10-4-6-11(7-5-10)13(15)14(17)16-12-3-2-8-20(18,19)9-12/h4-7,12-13H,2-3,8-9,15H2,1H3,(H,16,17)
InChIKeyVROOWXVFQQPYFM-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.69
Rot. Bonds3

About 2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide

2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide (PubChem CID 106151502) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide
PubChem CID106151502
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-10-4-6-11(7-5-10)13(15)14(17)16-12-3-2-8-20(18,19)9-12/h4-7,12-13H,2-3,8-9,15H2,1H3,(H,16,17)
InChIKeyVROOWXVFQQPYFM-UHFFFAOYSA-N
XLogP0.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)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-amino-N-(3-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667211
2-amino-N-(4-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668364
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 106151639
2-amino-N-(4,4-dimethylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668551
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669508
2-amino-N-(1,1-dioxothian-3-yl)-3,3-dimethylbutanamide
CID 77013077
2-amino-2-(4-methylphenyl)-N-(4-methylsulfanylcyclohexyl)acetamide
CID 106312954
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103869698
N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
CID 63924115
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669933
(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide
CID 103796806
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 120667696

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide (CID 106151502) is 2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NC2CCCS(=O)(=O)C2)cc1.
What is the InChIKey of 2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is VROOWXVFQQPYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-4-6-11(7-5-10)13(15)14(17)16-12-3-2-8-20(18,19)9-12/h4-7,12-13H,2-3,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide?
2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106151502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).