N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide

C11H13N3O3S — CID 43316144

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C11H13N3O3S/c1-17-8-5-3-2-4-7(8)14-11(16)10(15)13-6-9(12)18/h2-5H,6H2,1H3,(H2,12,18)(H,13,15)(H,14,16)
InChIKeyUVZYTDIHBYCBRC-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.04
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide (PubChem CID 43316144) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide
PubChem CID43316144
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C11H13N3O3S/c1-17-8-5-3-2-4-7(8)14-11(16)10(15)13-6-9(12)18/h2-5H,6H2,1H3,(H2,12,18)(H,13,15)(H,14,16)
InChIKeyUVZYTDIHBYCBRC-UHFFFAOYSA-N
XLogP0.04
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.04
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-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 106261293
N'-(2-methoxyphenyl)propanedithioamide
CID 86107307
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
2-(2-methoxyanilino)-2-sulfanylideneacetamide
CID 15526121
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
ethane;(2-methoxyphenyl)urea
CID 143063924
N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
CID 7541651
N'-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2223435
N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 7541654
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2-methoxyphenyl)oxamide
CID 90613594
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide (CID 43316144) is N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide?
The InChIKey is UVZYTDIHBYCBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-17-8-5-3-2-4-7(8)14-11(16)10(15)13-6-9(12)18/h2-5H,6H2,1H3,(H2,12,18)(H,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide has a molecular weight of 267.31 g/mol, XLogP of 0.04, 4 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-methoxyphenyl)oxamide is sourced from PubChem (CID 43316144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).