N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide

C11H12N4O3S — CID 43316270

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NCC(N)=S)cc1
InChIInChI=1S/C11H12N4O3S/c12-8(19)5-14-10(17)11(18)15-7-3-1-6(2-4-7)9(13)16/h1-4H,5H2,(H2,12,19)(H2,13,16)(H,14,17)(H,15,18)
InChIKeyNDNVACPHNMVWER-UHFFFAOYSA-N
MW280.31 g/mol
LogP-0.87
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide (PubChem CID 43316270) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide
PubChem CID43316270
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NCC(N)=S)cc1
InChIInChI=1S/C11H12N4O3S/c12-8(19)5-14-10(17)11(18)15-7-3-1-6(2-4-7)9(13)16/h1-4H,5H2,(H2,12,19)(H2,13,16)(H,14,17)(H,15,18)
InChIKeyNDNVACPHNMVWER-UHFFFAOYSA-N
XLogP-0.87
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
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'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide
CID 108513978
N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide
CID 43316147
4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
CID 28942422
N-benzyl-N'-(4-carbamoylphenyl)oxamide
CID 7584954
N-butyl-N'-(4-carbamoylphenyl)oxamide
CID 7584966
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
CID 108530450
N-(2-amino-2-sulfanylideneethyl)-N'-(3-bromo-4-methylphenyl)oxamide
CID 63334491
N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
CID 54955496
N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide
CID 43316300
N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide
CID 64854956
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide (CID 43316270) is N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide is NC(=O)c1ccc(NC(=O)C(=O)NCC(N)=S)cc1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide?
The InChIKey is NDNVACPHNMVWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c12-8(19)5-14-10(17)11(18)15-7-3-1-6(2-4-7)9(13)16/h1-4H,5H2,(H2,12,19)(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide has a molecular weight of 280.31 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide is sourced from PubChem (CID 43316270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).