(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide

C28H27ClF3N3O7S — CID 59867781

About (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide

(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide (PubChem CID 59867781) has the molecular formula C28H27ClF3N3O7S and a molecular weight of 642.05 g/mol. Its IUPAC name is (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

• Compound Name: (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide
• PubChem CID: 59867781
• Molecular Formula: C28H27ClF3N3O7S
• Molecular Weight: 642.05 g/mol
• Exact Mass: 641.12
• IUPAC Name: (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(N[C@@H](C)C(=O)N(C)C)(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1
• InChI: InChI=1S/C28H27ClF3N3O7S/c1-16(25(36)34(2)3)33-27(19-8-6-7-9-22(19)41-5)20-14-17(29)10-12-21(20)35(26(27)37)43(38,39)24-13-11-18(40-4)15-23(24)42-28(30,31)32/h6-16,33H,1-5H3/t16-,27?/m0/s1
• InChIKey: SKGNNAVMRYKPBT-CJKOFORZSA-N
• XLogP: 4.30
• TPSA: 114.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	642.05
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide?

The IUPAC name of (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide (CID 59867781) is (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide.

What is the SMILES notation for (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide?

The canonical SMILES for (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide is COc1ccc(S(=O)(=O)N2C(=O)C(N[C@@H](C)C(=O)N(C)C)(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1.

What is the InChIKey of (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide?

The InChIKey is SKGNNAVMRYKPBT-CJKOFORZSA-N. The full InChI is InChI=1S/C28H27ClF3N3O7S/c1-16(25(36)34(2)3)33-27(19-8-6-7-9-22(19)41-5)20-14-17(29)10-12-21(20)35(26(27)37)43(38,39)24-13-11-18(40-4)15-23(24)42-28(30,31)32/h6-16,33H,1-5H3/t16-,27?/m0/s1.

What are the key properties of (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide?

(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 642.05 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 59867781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).