4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide

C23H19F2N3O3S — CID 52668432

IUPAC4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C23H19F2N3O3S/c1-30-19-10-7-16(27-22(29)15-5-8-18(9-6-15)32-23(24)25)12-20(19)31-14-17-13-28-11-3-2-4-21(28)26-17/h2-13,23H,14H2,1H3,(H,27,29)
InChIKeyGFNBLWIQUWIQGF-UHFFFAOYSA-N
MW455.49 g/mol
LogP5.49
Rot. Bonds8

About 4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide

4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide (PubChem CID 52668432) has the molecular formula C23H19F2N3O3S and a molecular weight of 455.49 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
PubChem CID52668432
Molecular FormulaC23H19F2N3O3S
Molecular Weight455.49 g/mol
Exact Mass455.11
IUPAC Name4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C23H19F2N3O3S/c1-30-19-10-7-16(27-22(29)15-5-8-18(9-6-15)32-23(24)25)12-20(19)31-14-17-13-28-11-3-2-4-21(28)26-17/h2-13,23H,14H2,1H3,(H,27,29)
InChIKeyGFNBLWIQUWIQGF-UHFFFAOYSA-N
XLogP5.49
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethylsulfonyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
CID 55950861
2-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-methylpropanamide
CID 119859743
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide
CID 55949341
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55949079
2-butyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55949084
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119859782
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 40723689
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-pyrrolidin-2-ylacetamide
CID 119859777
3-(furan-2-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]propanamide
CID 55826214
3-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119859749
3-(difluoromethoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzamide
CID 47040736
3-acetamido-3-(4-chlorophenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]propanamide
CID 55949718

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide (CID 52668432) is 4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1OCc1cn2ccccc2n1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide?
The InChIKey is GFNBLWIQUWIQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3S/c1-30-19-10-7-16(27-22(29)15-5-8-18(9-6-15)32-23(24)25)12-20(19)31-14-17-13-28-11-3-2-4-21(28)26-17/h2-13,23H,14H2,1H3,(H,27,29).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide?
4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide has a molecular weight of 455.49 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide is sourced from PubChem (CID 52668432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).