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

C16H18N2O4S — CID 90496673

IUPACN'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H18N2O4S/c1-2-22-14-6-4-3-5-12(14)18-16(21)15(20)17-9-13(19)11-7-8-23-10-11/h3-8,10,13,19H,2,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyPTWCBVQRQVBRAM-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.94
Rot. Bonds6

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

N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide (PubChem CID 90496673) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
PubChem CID90496673
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H18N2O4S/c1-2-22-14-6-4-3-5-12(14)18-16(21)15(20)17-9-13(19)11-7-8-23-10-11/h3-8,10,13,19H,2,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyPTWCBVQRQVBRAM-UHFFFAOYSA-N
XLogP1.94
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 111443137
N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496929
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346
N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 111444382
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-ethoxyphenyl)oxamide
CID 7192247
N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848858
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 129357446

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide (CID 90496673) is N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide is CCOc1ccccc1NC(=O)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
The InChIKey is PTWCBVQRQVBRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-2-22-14-6-4-3-5-12(14)18-16(21)15(20)17-9-13(19)11-7-8-23-10-11/h3-8,10,13,19H,2,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide has a molecular weight of 334.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 90496673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).