N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide

C15H20N2O4S — CID 90584455

IUPACN'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC2(OC)CCSC2)c1
InChIInChI=1S/C15H20N2O4S/c1-20-12-5-3-4-11(8-12)17-14(19)13(18)16-9-15(21-2)6-7-22-10-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIXVCXSHBWFHTGV-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.27
Rot. Bonds5

About N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide

N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide (PubChem CID 90584455) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide
PubChem CID90584455
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC2(OC)CCSC2)c1
InChIInChI=1S/C15H20N2O4S/c1-20-12-5-3-4-11(8-12)17-14(19)13(18)16-9-15(21-2)6-7-22-10-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIXVCXSHBWFHTGV-UHFFFAOYSA-N
XLogP1.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide 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-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
CID 97414772
1-(4-methoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804942
1-(2,3-dimethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804947
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
1-[(4-methoxythian-4-yl)methyl]-3-(3-methylphenyl)urea
CID 91816850
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
CID 97414613
2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 2268249
1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
CID 90584333
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide (CID 90584455) is N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide is COc1cccc(NC(=O)C(=O)NCC2(OC)CCSC2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
The InChIKey is IXVCXSHBWFHTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-20-12-5-3-4-11(8-12)17-14(19)13(18)16-9-15(21-2)6-7-22-10-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide has a molecular weight of 324.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide is sourced from PubChem (CID 90584455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).