N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide

C14H20N2O4S — CID 95141629

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide
SMILESCOc1ccc(NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C14H20N2O4S/c1-10-7-12(20-2)3-4-13(10)15-8-14(17)16-11-5-6-21(18,19)9-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyAQCYEGLXKYJNDQ-LLVKDONJSA-N
MW312.39 g/mol
LogP0.72
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide (PubChem CID 95141629) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide
PubChem CID95141629
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide
SMILESCOc1ccc(NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C14H20N2O4S/c1-10-7-12(20-2)3-4-13(10)15-8-14(17)16-11-5-6-21(18,19)9-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyAQCYEGLXKYJNDQ-LLVKDONJSA-N
XLogP0.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)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-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 109001805
2-(2-bromo-4-methylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 52526163
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
1-(2-chloro-4-methoxyphenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 95239873
N'-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)propanediamide
CID 108949072
N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide
CID 110852767
N-ethyl-2-(4-methoxy-2-methylanilino)acetamide
CID 62871703
2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110770066
N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide
CID 51117326
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide (CID 95141629) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide is COc1ccc(NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide?
The InChIKey is AQCYEGLXKYJNDQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-7-12(20-2)3-4-13(10)15-8-14(17)16-11-5-6-21(18,19)9-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide is sourced from PubChem (CID 95141629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).