N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide

C15H15N3O5S — CID 90496686

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C15H15N3O5S/c1-9-2-3-11(18(22)23)6-12(9)17-15(21)14(20)16-7-13(19)10-4-5-24-8-10/h2-6,8,13,19H,7H2,1H3,(H,16,20)(H,17,21)
InChIKeyCPIPLNXNWHXVGE-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.75
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide (PubChem CID 90496686) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
PubChem CID90496686
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C15H15N3O5S/c1-9-2-3-11(18(22)23)6-12(9)17-15(21)14(20)16-7-13(19)10-4-5-24-8-10/h2-6,8,13,19H,7H2,1H3,(H,16,20)(H,17,21)
InChIKeyCPIPLNXNWHXVGE-UHFFFAOYSA-N
XLogP1.75
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-5-nitroanilino)-1-thiophen-3-ylethanol
CID 106435938
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90582543
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90496666
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-nitrobenzamide
CID 106434940
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132300
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 41454442
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18589254
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(4-nitrophenyl)methyl]urea
CID 111440898
N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 111441379
N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 111444382

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide (CID 90496686) is N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
The InChIKey is CPIPLNXNWHXVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-9-2-3-11(18(22)23)6-12(9)17-15(21)14(20)16-7-13(19)10-4-5-24-8-10/h2-6,8,13,19H,7H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide has a molecular weight of 349.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide is sourced from PubChem (CID 90496686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).