N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide

C13H17N3O3S — CID 106261293

IUPACN'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C13H17N3O3S/c1-19-10-5-3-2-4-9(10)6-7-15-12(17)13(18)16-8-11(14)20/h2-5H,6-8H2,1H3,(H2,14,20)(H,15,17)(H,16,18)
InChIKeyUYYJRWFYOOKTST-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.24
Rot. Bonds6

About N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide

N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide (PubChem CID 106261293) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
PubChem CID106261293
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C13H17N3O3S/c1-19-10-5-3-2-4-9(10)6-7-15-12(17)13(18)16-8-11(14)20/h2-5H,6-8H2,1H3,(H2,14,20)(H,15,17)(H,16,18)
InChIKeyUYYJRWFYOOKTST-UHFFFAOYSA-N
XLogP-0.24
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide
CID 43316144
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108983990
N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 44995797
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773
1-carbamothioyl-N-[2-(2-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 106261282
N'-(4-acetylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 86995908

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide (CID 106261293) is N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide is COc1ccccc1CCNC(=O)C(=O)NCC(N)=S.
What is the InChIKey of N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The InChIKey is UYYJRWFYOOKTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-19-10-5-3-2-4-9(10)6-7-15-12(17)13(18)16-8-11(14)20/h2-5H,6-8H2,1H3,(H2,14,20)(H,15,17)(H,16,18).
What are the key properties of N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide?
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide has a molecular weight of 295.36 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 106261293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).