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

C11H11Br2N3O2S — CID 43316443

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide
SMILESCc1cc(Br)c(NC(=O)C(=O)NCC(N)=S)c(Br)c1
InChIInChI=1S/C11H11Br2N3O2S/c1-5-2-6(12)9(7(13)3-5)16-11(18)10(17)15-4-8(14)19/h2-3H,4H2,1H3,(H2,14,19)(H,15,17)(H,16,18)
InChIKeyOEBVGDVDCMKQCN-UHFFFAOYSA-N
MW409.10 g/mol
LogP1.86
Rot. Bonds3

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

N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide (PubChem CID 43316443) has the molecular formula C11H11Br2N3O2S and a molecular weight of 409.10 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide
PubChem CID43316443
Molecular FormulaC11H11Br2N3O2S
Molecular Weight409.10 g/mol
Exact Mass406.89
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide
SMILESCc1cc(Br)c(NC(=O)C(=O)NCC(N)=S)c(Br)c1
InChIInChI=1S/C11H11Br2N3O2S/c1-5-2-6(12)9(7(13)3-5)16-11(18)10(17)15-4-8(14)19/h2-3H,4H2,1H3,(H2,14,19)(H,15,17)(H,16,18)
InChIKeyOEBVGDVDCMKQCN-UHFFFAOYSA-N
XLogP1.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.10
LogP ≤ 51.86
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'}

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 43316123
N-(2-amino-2-sulfanylideneethyl)-N'-(3-bromo-4-methylphenyl)oxamide
CID 63334491
N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-6-fluorophenyl)oxamide
CID 107600457
N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide
CID 43316429
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide
CID 64854956
(2-bromo-6-fluoro-4-methylphenyl)urea
CID 141173640
1-carbamothioyl-N-(2,6-dibromo-4-methylphenyl)cyclobutane-1-carboxamide
CID 80592110
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
N,N'-bis(2,4,6-tribromophenyl)oxamide
CID 89438715
methyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 116654064
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 115571577

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide (CID 43316443) is N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide is Cc1cc(Br)c(NC(=O)C(=O)NCC(N)=S)c(Br)c1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide?
The InChIKey is OEBVGDVDCMKQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O2S/c1-5-2-6(12)9(7(13)3-5)16-11(18)10(17)15-4-8(14)19/h2-3H,4H2,1H3,(H2,14,19)(H,15,17)(H,16,18).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide has a molecular weight of 409.10 g/mol, XLogP of 1.86, 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'-(2,6-dibromo-4-methylphenyl)oxamide is sourced from PubChem (CID 43316443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).