N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide

C17H20N2O3S2 — CID 90598595

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccccc1SC)c1ccc(C)s1
InChIInChI=1S/C17H20N2O3S2/c1-11-8-9-15(24-11)13(22-2)10-18-16(20)17(21)19-12-6-4-5-7-14(12)23-3/h4-9,13H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyVPGMYDBPGARXGC-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.22
Rot. Bonds6

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide (PubChem CID 90598595) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide
PubChem CID90598595
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccccc1SC)c1ccc(C)s1
InChIInChI=1S/C17H20N2O3S2/c1-11-8-9-15(24-11)13(22-2)10-18-16(20)17(21)19-12-6-4-5-7-14(12)23-3/h4-9,13H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyVPGMYDBPGARXGC-UHFFFAOYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 97417576
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595
N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598559
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598587
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide
CID 90598426
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]furan-2-carboxamide
CID 97417363
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90598381
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90598353
2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 97417429
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 97417586

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide (CID 90598595) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide is COC(CNC(=O)C(=O)Nc1ccccc1SC)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The InChIKey is VPGMYDBPGARXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-11-8-9-15(24-11)13(22-2)10-18-16(20)17(21)19-12-6-4-5-7-14(12)23-3/h4-9,13H,10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide has a molecular weight of 364.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 90598595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).