N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide

C15H16N2O3S — CID 90496639

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C15H16N2O3S/c1-10-4-2-3-5-12(10)17-15(20)14(19)16-8-13(18)11-6-7-21-9-11/h2-7,9,13,18H,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyVMZNROYQJSTCMW-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.84
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide (PubChem CID 90496639) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
PubChem CID90496639
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C15H16N2O3S/c1-10-4-2-3-5-12(10)17-15(20)14(19)16-8-13(18)11-6-7-21-9-11/h2-7,9,13,18H,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyVMZNROYQJSTCMW-UHFFFAOYSA-N
XLogP1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 90496673
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90496666
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90496686
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methylphenyl)oxamide
CID 16932603
N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide
CID 111111436
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide
CID 111444404
N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 111444382
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide
CID 111441693
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide (CID 90496639) is N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide is Cc1ccccc1NC(=O)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide?
The InChIKey is VMZNROYQJSTCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-4-2-3-5-12(10)17-15(20)14(19)16-8-13(18)11-6-7-21-9-11/h2-7,9,13,18H,8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide has a molecular weight of 304.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide is sourced from PubChem (CID 90496639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).