4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

C22H20F2N4O5S — CID 25440089

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)ccc1OC(F)F
InChIInChI=1S/C22H20F2N4O5S/c1-12-18(34-21(26-12)13-6-4-3-5-7-13)20(31)28-27-17(29)11-25-19(30)14-8-9-15(33-22(23)24)16(10-14)32-2/h3-10,22H,11H2,1-2H3,(H,25,30)(H,27,29)(H,28,31)
InChIKeyCSSZEOMVKFZFGV-UHFFFAOYSA-N
MW490.49 g/mol
LogP2.92
Rot. Bonds8

About 4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 25440089) has the molecular formula C22H20F2N4O5S and a molecular weight of 490.49 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID25440089
Molecular FormulaC22H20F2N4O5S
Molecular Weight490.49 g/mol
Exact Mass490.11
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)ccc1OC(F)F
InChIInChI=1S/C22H20F2N4O5S/c1-12-18(34-21(26-12)13-6-4-3-5-7-13)20(31)28-27-17(29)11-25-19(30)14-8-9-15(33-22(23)24)16(10-14)32-2/h3-10,22H,11H2,1-2H3,(H,25,30)(H,27,29)(H,28,31)
InChIKeyCSSZEOMVKFZFGV-UHFFFAOYSA-N
XLogP2.92
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553417
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 35066726
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
2-benzyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39945126
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 46529259
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
3-methyl-N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 25439163
N'-(6-methoxypyridine-3-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 24531640
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide
CID 55952260
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41410915

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (CID 25440089) is 4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is CSSZEOMVKFZFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O5S/c1-12-18(34-21(26-12)13-6-4-3-5-7-13)20(31)28-27-17(29)11-25-19(30)14-8-9-15(33-22(23)24)16(10-14)32-2/h3-10,22H,11H2,1-2H3,(H,25,30)(H,27,29)(H,28,31).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 490.49 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 25440089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).