N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide

C13H17N3O2S — CID 43316123

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCC(N)=S)c(C)c1
InChIInChI=1S/C13H17N3O2S/c1-7-4-8(2)11(9(3)5-7)16-13(18)12(17)15-6-10(14)19/h4-5H,6H2,1-3H3,(H2,14,19)(H,15,17)(H,16,18)
InChIKeyIGRARHHGDSYUGM-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.95
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 43316123) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID43316123
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCC(N)=S)c(C)c1
InChIInChI=1S/C13H17N3O2S/c1-7-4-8(2)11(9(3)5-7)16-13(18)12(17)15-6-10(14)19/h4-5H,6H2,1-3H3,(H2,14,19)(H,15,17)(H,16,18)
InChIKeyIGRARHHGDSYUGM-UHFFFAOYSA-N
XLogP0.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)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-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide
CID 43316443
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(2-amino-2-sulfanylideneethyl)-N'-(3-bromo-4-methylphenyl)oxamide
CID 63334491
N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512188
(2,4,6-trimethylphenyl)thiourea
CID 2731118
N-(2-amino-2-sulfanylideneethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)oxamide
CID 114388000
N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
CID 3100446
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
N-(2-carbamoylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512277
2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide
CID 8676937
N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108984747
N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 111456232

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide (CID 43316123) is N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NCC(N)=S)c(C)c1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is IGRARHHGDSYUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-7-4-8(2)11(9(3)5-7)16-13(18)12(17)15-6-10(14)19/h4-5H,6H2,1-3H3,(H2,14,19)(H,15,17)(H,16,18).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 279.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 43316123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).