4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide

C22H15ClFN3O3S2 — CID 34306485

IUPAC4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
SMILESO=C(COc1ccccc1F)Nc1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C22H15ClFN3O3S2/c23-14-9-7-13(8-10-14)20(29)27-21-19(17-6-3-11-31-17)26-22(32-21)25-18(28)12-30-16-5-2-1-4-15(16)24/h1-11H,12H2,(H,27,29)(H,25,26,28)
InChIKeyCFQZZGWZINVPSC-UHFFFAOYSA-N
MW487.97 g/mol
LogP5.93
Rot. Bonds7

About 4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide

4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide (PubChem CID 34306485) has the molecular formula C22H15ClFN3O3S2 and a molecular weight of 487.97 g/mol. Its IUPAC name is 4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
PubChem CID34306485
Molecular FormulaC22H15ClFN3O3S2
Molecular Weight487.97 g/mol
Exact Mass487.02
IUPAC Name4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
SMILESO=C(COc1ccccc1F)Nc1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C22H15ClFN3O3S2/c23-14-9-7-13(8-10-14)20(29)27-21-19(17-6-3-11-31-17)26-22(32-21)25-18(28)12-30-16-5-2-1-4-15(16)24/h1-11H,12H2,(H,27,29)(H,25,26,28)
InChIKeyCFQZZGWZINVPSC-UHFFFAOYSA-N
XLogP5.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.97
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide
CID 171703835
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300079
2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane
CID 45128836
4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
CID 166597151
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029
4-(2-fluorophenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 55928851
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
benzene;hexakis(2-(4-chloro-2-methylphenoxy)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)acetamide)
CID 175653214
2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 3895307
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 39043657
2-(2-bromophenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide (CID 34306485) is 4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide is O=C(COc1ccccc1F)Nc1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide?
The InChIKey is CFQZZGWZINVPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O3S2/c23-14-9-7-13(8-10-14)20(29)27-21-19(17-6-3-11-31-17)26-22(32-21)25-18(28)12-30-16-5-2-1-4-15(16)24/h1-11H,12H2,(H,27,29)(H,25,26,28).
What are the key properties of 4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide?
4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide has a molecular weight of 487.97 g/mol, XLogP of 5.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 34306485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).