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

C16H18N2O3S — CID 90496649

IUPACN'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H18N2O3S/c19-14(13-7-9-22-11-13)10-18-16(21)15(20)17-8-6-12-4-2-1-3-5-12/h1-5,7,9,11,14,19H,6,8,10H2,(H,17,20)(H,18,21)
InChIKeySUSVXFYASZODOM-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.26
Rot. Bonds6

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

N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide (PubChem CID 90496649) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
PubChem CID90496649
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H18N2O3S/c19-14(13-7-9-22-11-13)10-18-16(21)15(20)17-8-6-12-4-2-1-3-5-12/h1-5,7,9,11,14,19H,6,8,10H2,(H,17,20)(H,18,21)
InChIKeySUSVXFYASZODOM-UHFFFAOYSA-N
XLogP1.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.26
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-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848792
N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 16932487
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
CID 121132071
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99981562
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea
CID 111440872
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
CID 119798622
N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 90496673
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
(E)-4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 106434672

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide (CID 90496649) is N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide?
The InChIKey is SUSVXFYASZODOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-14(13-7-9-22-11-13)10-18-16(21)15(20)17-8-6-12-4-2-1-3-5-12/h1-5,7,9,11,14,19H,6,8,10H2,(H,17,20)(H,18,21).
What are the key properties of N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide?
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide has a molecular weight of 318.40 g/mol, XLogP of 1.26, 6 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-phenylethyl)oxamide is sourced from PubChem (CID 90496649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).