N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide

C22H16FN3O3S — CID 11200985

IUPACN-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide
SMILESO=C(COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12)Nc1nccs1
InChIInChI=1S/C22H16FN3O3S/c23-14-4-3-5-15(12-14)25-21(28)18-8-9-19(17-7-2-1-6-16(17)18)29-13-20(27)26-22-24-10-11-30-22/h1-12H,13H2,(H,25,28)(H,24,26,27)
InChIKeyRHXSMAZSQLVRQR-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.71
Rot. Bonds6

About N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide

N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide (PubChem CID 11200985) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide
PubChem CID11200985
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC NameN-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide
SMILESO=C(COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12)Nc1nccs1
InChIInChI=1S/C22H16FN3O3S/c23-14-4-3-5-15(12-14)25-21(28)18-8-9-19(17-7-2-1-6-16(17)18)29-13-20(27)26-22-24-10-11-30-22/h1-12H,13H2,(H,25,28)(H,24,26,27)
InChIKeyRHXSMAZSQLVRQR-UHFFFAOYSA-N
XLogP4.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide
CID 11430075
N-(3-fluorophenyl)-4-(2-hydroxyethoxy)naphthalene-1-carboxamide
CID 11738861
4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide
CID 11232437
5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 141216526
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2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732488
N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17296385
2-ethoxy-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
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[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate
CID 3407042
2-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 1301072
2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxy-N-(1,3-thiazol-2-yl)acetamide
CID 43985301

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide (CID 11200985) is N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide is O=C(COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12)Nc1nccs1.
What is the InChIKey of N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide?
The InChIKey is RHXSMAZSQLVRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c23-14-4-3-5-15(12-14)25-21(28)18-8-9-19(17-7-2-1-6-16(17)18)29-13-20(27)26-22-24-10-11-30-22/h1-12H,13H2,(H,25,28)(H,24,26,27).
What are the key properties of N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide?
N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide is sourced from PubChem (CID 11200985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).