N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide

C16H18N2O3S — CID 90500125

IUPACN'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCC(O)c2cccs2)c1
InChIInChI=1S/C16H18N2O3S/c1-10-6-11(2)8-12(7-10)18-16(21)15(20)17-9-13(19)14-4-3-5-22-14/h3-8,13,19H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyZFMDZIIMQCVTDA-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.15
Rot. Bonds4

About N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide

N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide (PubChem CID 90500125) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
PubChem CID90500125
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCC(O)c2cccs2)c1
InChIInChI=1S/C16H18N2O3S/c1-10-6-11(2)8-12(7-10)18-16(21)15(20)17-9-13(19)14-4-3-5-22-14/h3-8,13,19H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyZFMDZIIMQCVTDA-UHFFFAOYSA-N
XLogP2.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.15
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'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500127
N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 71782461
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500143
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90524247
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
2-(3-bromo-5-methylanilino)-1-thiophen-2-ylethanol
CID 107583087
N'-(3,5-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535242
N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 97106555
N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264488
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-N'-(4-methylphenyl)oxamide
CID 122264916

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide (CID 90500125) is N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)NCC(O)c2cccs2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
The InChIKey is ZFMDZIIMQCVTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-6-11(2)8-12(7-10)18-16(21)15(20)17-9-13(19)14-4-3-5-22-14/h3-8,13,19H,9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide has a molecular weight of 318.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide is sourced from PubChem (CID 90500125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).