N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide

C18H22N2O3S — CID 90524247

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCC(O)c2cccs2)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-11-9-12(2)16(13(3)10-11)20-18(23)17(22)19-7-6-14(21)15-5-4-8-24-15/h4-5,8-10,14,21H,6-7H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyWGDIPJGSVBKFCT-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.85
Rot. Bonds5

About N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 90524247) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID90524247
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCC(O)c2cccs2)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-11-9-12(2)16(13(3)10-11)20-18(23)17(22)19-7-6-14(21)15-5-4-8-24-15/h4-5,8-10,14,21H,6-7H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyWGDIPJGSVBKFCT-UHFFFAOYSA-N
XLogP2.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.85
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-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide
CID 90524242
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500125
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 90524165
2-amino-2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 115285827
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90496666
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512188
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 90523997
1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea
CID 71787902
N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
CID 3100446

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide (CID 90524247) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NCCC(O)c2cccs2)c(C)c1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is WGDIPJGSVBKFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11-9-12(2)16(13(3)10-11)20-18(23)17(22)19-7-6-14(21)15-5-4-8-24-15/h4-5,8-10,14,21H,6-7H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 346.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 90524247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).