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

C12H15N3O3S — CID 43316152

IUPACN'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C12H15N3O3S/c1-18-9-5-3-2-4-8(9)6-14-11(16)12(17)15-7-10(13)19/h2-5H,6-7H2,1H3,(H2,13,19)(H,14,16)(H,15,17)
InChIKeySLMJSTCJVMQTDR-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.29
Rot. Bonds5

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

N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 43316152) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
PubChem CID43316152
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C12H15N3O3S/c1-18-9-5-3-2-4-8(9)6-14-11(16)12(17)15-7-10(13)19/h2-5H,6-7H2,1H3,(H2,13,19)(H,14,16)(H,15,17)
InChIKeySLMJSTCJVMQTDR-UHFFFAOYSA-N
XLogP-0.29
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.29
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-(2-methoxyphenyl)ethyl]oxamide
CID 106261293
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide
CID 43316144
4-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 94805308
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
(Z)-4-[(2-methoxyphenyl)methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63266732
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 108525840
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473
(Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide
CID 47025986

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide (CID 43316152) is N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)NCC(N)=S.
What is the InChIKey of N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is SLMJSTCJVMQTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-18-9-5-3-2-4-8(9)6-14-11(16)12(17)15-7-10(13)19/h2-5H,6-7H2,1H3,(H2,13,19)(H,14,16)(H,15,17).
What are the key properties of N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide?
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide has a molecular weight of 281.34 g/mol, XLogP of -0.29, 5 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)methyl]oxamide is sourced from PubChem (CID 43316152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).