2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide

C25H22N2O4S2 — CID 24960870

IUPAC2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H22N2O4S2/c1-25(23(28)27-24-26-16-17-32-24,20-10-14-22(15-11-20)33(2,29)30)31-21-12-8-19(9-13-21)18-6-4-3-5-7-18/h3-17H,1-2H3,(H,26,27,28)
InChIKeyIZHQOSOHGZYYJH-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.15
Rot. Bonds7

About 2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide

2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 24960870) has the molecular formula C25H22N2O4S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID24960870
Molecular FormulaC25H22N2O4S2
Molecular Weight478.60 g/mol
Exact Mass478.10
IUPAC Name2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H22N2O4S2/c1-25(23(28)27-24-26-16-17-32-24,20-10-14-22(15-11-20)33(2,29)30)31-21-12-8-19(9-13-21)18-6-4-3-5-7-18/h3-17H,1-2H3,(H,26,27,28)
InChIKeyIZHQOSOHGZYYJH-UHFFFAOYSA-N
XLogP5.15
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 143671145
2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 87417960
2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 59363839
2-methyl-2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)propanamide
CID 24962327
(2S)-2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 42561538
2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4511693
2,3-bis(4-chlorophenyl)-2,3-bis(4-methylphenoxy)-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide
CID 87417741
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
CID 141213240
3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 130206353
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 145463971

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 24960870) is 2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is IZHQOSOHGZYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S2/c1-25(23(28)27-24-26-16-17-32-24,20-10-14-22(15-11-20)33(2,29)30)31-21-12-8-19(9-13-21)18-6-4-3-5-7-18/h3-17H,1-2H3,(H,26,27,28).
What are the key properties of 2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 478.60 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24960870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).