N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide

C19H22FN3O3S — CID 16932473

IUPACN'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(c2ccsc2)N2CCOCC2)cc1F
InChIInChI=1S/C19H22FN3O3S/c1-13-2-3-15(10-16(13)20)22-19(25)18(24)21-11-17(14-4-9-27-12-14)23-5-7-26-8-6-23/h2-4,9-10,12,17H,5-8,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyXAGYPBBGXPHMFC-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.32
Rot. Bonds5

About N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide

N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 16932473) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID16932473
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(c2ccsc2)N2CCOCC2)cc1F
InChIInChI=1S/C19H22FN3O3S/c1-13-2-3-15(10-16(13)20)22-19(25)18(24)21-11-17(14-4-9-27-12-14)23-5-7-26-8-6-23/h2-4,9-10,12,17H,5-8,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyXAGYPBBGXPHMFC-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide (CID 16932473) is N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC(c2ccsc2)N2CCOCC2)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is XAGYPBBGXPHMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-13-2-3-15(10-16(13)20)22-19(25)18(24)21-11-17(14-4-9-27-12-14)23-5-7-26-8-6-23/h2-4,9-10,12,17H,5-8,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide?
N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 391.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 16932473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).