2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide

C19H16F2N2O3S2 — CID 145463971

IUPAC2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)c1ccc(C(C)(Oc2ccc(F)cc2F)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H16F2N2O3S2/c1-19(17(24)23-18-22-9-10-27-18,12-3-6-14(7-4-12)28(2)25)26-16-8-5-13(20)11-15(16)21/h3-11H,1-2H3,(H,22,23,24)
InChIKeyNVXRMWFHZRCNBT-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.09
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide

2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 145463971) has the molecular formula C19H16F2N2O3S2 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID145463971
Molecular FormulaC19H16F2N2O3S2
Molecular Weight422.48 g/mol
Exact Mass422.06
IUPAC Name2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)c1ccc(C(C)(Oc2ccc(F)cc2F)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H16F2N2O3S2/c1-19(17(24)23-18-22-9-10-27-18,12-3-6-14(7-4-12)28(2)25)26-16-8-5-13(20)11-15(16)21/h3-11H,1-2H3,(H,22,23,24)
InChIKeyNVXRMWFHZRCNBT-UHFFFAOYSA-N
XLogP4.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 87419086
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
CID 141213240
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 87418068
2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 59363839
1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid
CID 88542127
2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 24960870
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
2-methyl-2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)propanamide
CID 24962327
tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 146468890
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
3-(4-fluorophenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59232619

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 145463971) is 2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide is CS(=O)c1ccc(C(C)(Oc2ccc(F)cc2F)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is NVXRMWFHZRCNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S2/c1-19(17(24)23-18-22-9-10-27-18,12-3-6-14(7-4-12)28(2)25)26-16-8-5-13(20)11-15(16)21/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 422.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 145463971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).