N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide

C17H20N2O3S — CID 111444404

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide
SMILESCC(C)c1cccc(NC(=O)C(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C17H20N2O3S/c1-11(2)12-4-3-5-14(8-12)19-17(22)16(21)18-9-15(20)13-6-7-23-10-13/h3-8,10-11,15,20H,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIOCBCZVPRCRACW-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.66
Rot. Bonds5

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

N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide (PubChem CID 111444404) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide
PubChem CID111444404
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide
SMILESCC(C)c1cccc(NC(=O)C(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C17H20N2O3S/c1-11(2)12-4-3-5-14(8-12)19-17(22)16(21)18-9-15(20)13-6-7-23-10-13/h3-8,10-11,15,20H,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIOCBCZVPRCRACW-UHFFFAOYSA-N
XLogP2.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.66
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

1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 111441664
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90496666
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90496691
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 121132289
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40847938
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 99981653
N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide
CID 97323196
N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 90496673
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide (CID 111444404) is N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide is CC(C)c1cccc(NC(=O)C(=O)NCC(O)c2ccsc2)c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide?
The InChIKey is IOCBCZVPRCRACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11(2)12-4-3-5-14(8-12)19-17(22)16(21)18-9-15(20)13-6-7-23-10-13/h3-8,10-11,15,20H,9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide has a molecular weight of 332.43 g/mol, XLogP of 2.66, 5 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'-(3-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 111444404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).