N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide

C17H19FN2O3S — CID 71810695

IUPACN'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCOC(C)(CNC(=O)C(=O)NCc1cccs1)c1ccccc1F
InChIInChI=1S/C17H19FN2O3S/c1-17(23-2,13-7-3-4-8-14(13)18)11-20-16(22)15(21)19-10-12-6-5-9-24-12/h3-9H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFUZLRTDPJAJKLQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.18
Rot. Bonds6

About N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 71810695) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID71810695
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCOC(C)(CNC(=O)C(=O)NCc1cccs1)c1ccccc1F
InChIInChI=1S/C17H19FN2O3S/c1-17(23-2,13-7-3-4-8-14(13)18)11-20-16(22)15(21)19-10-12-6-5-9-24-12/h3-9H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFUZLRTDPJAJKLQ-UHFFFAOYSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)oxalamide
CID 56764063
N1-(thiophen-2-ylmethyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764241
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 56792953
1-(4-Fluorobenzyl)-3-(2-methoxy-2-(5-methylthiophen-2-yl)ethyl)urea
CID 71810440
N-[2-(2-Fluorophenyl)-2-methoxypropyl]thiophene-3-carboxamide
CID 71810601
1-(2-(2-Fluorophenyl)-2-methoxypropyl)-3-(thiophen-2-ylmethyl)urea
CID 71810708
N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl](3-thienyl)acetamide
CID 97428418
N-[(R)-2-methoxy-2-phenylbutyl](p-fluorophenylthio)acetamide
CID 97428592
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]-4-methyl-2-thenamide
CID 97553345
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl](3-thienyl)acetamide
CID 97553465
1-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]-3-thenylurea
CID 97553601
N1-(3-(2-phenylmorpholino)propyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 16893048

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide (CID 71810695) is N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide is COC(C)(CNC(=O)C(=O)NCc1cccs1)c1ccccc1F.
What is the InChIKey of N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is FUZLRTDPJAJKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-17(23-2,13-7-3-4-8-14(13)18)11-20-16(22)15(21)19-10-12-6-5-9-24-12/h3-9H,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 350.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 71810695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).