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

C33H29ClF3N3O7S — CID 11949857

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

(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethyl-2-phenylacetamide (PubChem CID 11949857) has the molecular formula C33H29ClF3N3O7S and a molecular weight of 704.12 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-dimethyl-2-phenylacetamide.

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-dimethyl-2-phenylacetamide
• PubChem CID: 11949857
• Molecular Formula: C33H29ClF3N3O7S
• Molecular Weight: 704.12 g/mol
• Exact Mass: 703.14
• IUPAC Name: (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethyl-2-phenylacetamide
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(N[C@H](C(=O)N(C)C)c3ccccc3)(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1
• InChI: InChI=1S/C33H29ClF3N3O7S/c1-39(2)30(41)29(20-10-6-5-7-11-20)38-32(23-12-8-9-13-26(23)46-4)24-18-21(34)14-16-25(24)40(31(32)42)48(43,44)28-17-15-22(45-3)19-27(28)47-33(35,36)37/h5-19,29,38H,1-4H3/t29-,32?/m0/s1
• InChIKey: NNXKTJOXPDDOAF-QGFKTNLFSA-N
• XLogP: 5.65
• TPSA: 114.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.12
LogP ≤ 5	5.65
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-dimethyl-2-phenylacetamide?

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-dimethyl-2-phenylacetamide (CID 11949857) is (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethyl-2-phenylacetamide.

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-dimethyl-2-phenylacetamide?

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-dimethyl-2-phenylacetamide is COc1ccc(S(=O)(=O)N2C(=O)C(N[C@H](C(=O)N(C)C)c3ccccc3)(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-dimethyl-2-phenylacetamide?

The InChIKey is NNXKTJOXPDDOAF-QGFKTNLFSA-N. The full InChI is InChI=1S/C33H29ClF3N3O7S/c1-39(2)30(41)29(20-10-6-5-7-11-20)38-32(23-12-8-9-13-26(23)46-4)24-18-21(34)14-16-25(24)40(31(32)42)48(43,44)28-17-15-22(45-3)19-27(28)47-33(35,36)37/h5-19,29,38H,1-4H3/t29-,32?/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-dimethyl-2-phenylacetamide?

(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 704.12 g/mol, XLogP of 5.65, 10 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-dimethyl-2-phenylacetamide is sourced from PubChem (CID 11949857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).