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

C27H25ClF3N3O7S — CID 59867898

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

2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylacetamide (PubChem CID 59867898) has the molecular formula C27H25ClF3N3O7S and a molecular weight of 628.03 g/mol. Its IUPAC name is 2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylacetamide
• PubChem CID: 59867898
• Molecular Formula: C27H25ClF3N3O7S
• Molecular Weight: 628.03 g/mol
• Exact Mass: 627.11
• IUPAC Name: 2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylacetamide
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(NCC(=O)N(C)C)(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1
• InChI: InChI=1S/C27H25ClF3N3O7S/c1-33(2)24(35)15-32-26(18-7-5-6-8-21(18)40-4)19-13-16(28)9-11-20(19)34(25(26)36)42(37,38)23-12-10-17(39-3)14-22(23)41-27(29,30)31/h5-14,32H,15H2,1-4H3
• InChIKey: UOQXIXHFHJBPMT-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 114.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.03
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylacetamide (CID 59867898) is 2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylacetamide.

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

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

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

The InChIKey is UOQXIXHFHJBPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF3N3O7S/c1-33(2)24(35)15-32-26(18-7-5-6-8-21(18)40-4)19-13-16(28)9-11-20(19)34(25(26)36)42(37,38)23-12-10-17(39-3)14-22(23)41-27(29,30)31/h5-14,32H,15H2,1-4H3.

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

2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylacetamide has a molecular weight of 628.03 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 59867898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).