N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide

C18H19FN2O3S — CID 71781770

IUPACN'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C18H19FN2O3S/c19-14-7-3-12(4-8-14)10-20-16(22)17(23)21-11-18(24,13-5-6-13)15-2-1-9-25-15/h1-4,7-9,13,24H,5-6,10-11H2,(H,20,22)(H,21,23)
InChIKeyMYIFDWIDPXFGHS-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.92
Rot. Bonds6

About N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide

N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 71781770) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID71781770
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C18H19FN2O3S/c19-14-7-3-12(4-8-14)10-20-16(22)17(23)21-11-18(24,13-5-6-13)15-2-1-9-25-15/h1-4,7-9,13,24H,5-6,10-11H2,(H,20,22)(H,21,23)
InChIKeyMYIFDWIDPXFGHS-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide (CID 71781770) is N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1cccs1)C1CC1.
What is the InChIKey of N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is MYIFDWIDPXFGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-14-7-3-12(4-8-14)10-20-16(22)17(23)21-11-18(24,13-5-6-13)15-2-1-9-25-15/h1-4,7-9,13,24H,5-6,10-11H2,(H,20,22)(H,21,23).
What are the key properties of N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide?
N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 362.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 71781770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).