N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide

C25H27ClN2O5S — CID 30219478

About N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide (PubChem CID 30219478) has the molecular formula C25H27ClN2O5S and a molecular weight of 503.02 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
• PubChem CID: 30219478
• Molecular Formula: C25H27ClN2O5S
• Molecular Weight: 503.02 g/mol
• Exact Mass: 502.13
• IUPAC Name: N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
• SMILES: COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O
• InChI: InChI=1S/C25H27ClN2O5S/c1-17(2)18-9-12-20(13-10-18)28(34(4,30)31)16-25(29)27-21-15-19(26)11-14-22(21)33-24-8-6-5-7-23(24)32-3/h5-15,17H,16H2,1-4H3,(H,27,29)
• InChIKey: SZFRYBWZGMDEET-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.02
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide?

The IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide (CID 30219478) is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide.

What is the SMILES notation for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide?

The canonical SMILES for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide is COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O.

What is the InChIKey of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide?

The InChIKey is SZFRYBWZGMDEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5S/c1-17(2)18-9-12-20(13-10-18)28(34(4,30)31)16-25(29)27-21-15-19(26)11-14-22(21)33-24-8-6-5-7-23(24)32-3/h5-15,17H,16H2,1-4H3,(H,27,29).

What are the key properties of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide?

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide has a molecular weight of 503.02 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 30219478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).