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

C34H31ClF3N3O8S — CID 11949858

IUPAC(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-3-(4-hydroxyphenyl)-N,N-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)C)(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1
InChIInChI=1S/C34H31ClF3N3O8S/c1-40(2)31(43)26(17-20-9-12-22(42)13-10-20)39-33(24-7-5-6-8-28(24)48-4)25-18-21(35)11-15-27(25)41(32(33)44)50(45,46)30-16-14-23(47-3)19-29(30)49-34(36,37)38/h5-16,18-19,26,39,42H,17H2,1-4H3/t26-,33?/m0/s1
InChIKeyQZXILQPKKQUNTL-AYTRYJACSA-N
MW734.15 g/mol
LogP5.23
Rot. Bonds11

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

(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-3-(4-hydroxyphenyl)-N,N-dimethylpropanamide (PubChem CID 11949858) has the molecular formula C34H31ClF3N3O8S and a molecular weight of 734.15 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]-3-(4-hydroxyphenyl)-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]-3-(4-hydroxyphenyl)-N,N-dimethylpropanamide
PubChem CID11949858
Molecular FormulaC34H31ClF3N3O8S
Molecular Weight734.15 g/mol
Exact Mass733.15
IUPAC Name(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-3-(4-hydroxyphenyl)-N,N-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)C)(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1
InChIInChI=1S/C34H31ClF3N3O8S/c1-40(2)31(43)26(17-20-9-12-22(42)13-10-20)39-33(24-7-5-6-8-28(24)48-4)25-18-21(35)11-15-27(25)41(32(33)44)50(45,46)30-16-14-23(47-3)19-29(30)49-34(36,37)38/h5-16,18-19,26,39,42H,17H2,1-4H3/t26-,33?/m0/s1
InChIKeyQZXILQPKKQUNTL-AYTRYJACSA-N
XLogP5.23
TPSA134.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.15
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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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]-3-(4-hydroxyphenyl)-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]-3-(4-hydroxyphenyl)-N,N-dimethylpropanamide (CID 11949858) is (2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-3-(4-hydroxyphenyl)-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]-3-(4-hydroxyphenyl)-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]-3-(4-hydroxyphenyl)-N,N-dimethylpropanamide is COc1ccc(S(=O)(=O)N2C(=O)C(N[C@@H](Cc3ccc(O)cc3)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]-3-(4-hydroxyphenyl)-N,N-dimethylpropanamide?
The InChIKey is QZXILQPKKQUNTL-AYTRYJACSA-N. The full InChI is InChI=1S/C34H31ClF3N3O8S/c1-40(2)31(43)26(17-20-9-12-22(42)13-10-20)39-33(24-7-5-6-8-28(24)48-4)25-18-21(35)11-15-27(25)41(32(33)44)50(45,46)30-16-14-23(47-3)19-29(30)49-34(36,37)38/h5-16,18-19,26,39,42H,17H2,1-4H3/t26-,33?/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]-3-(4-hydroxyphenyl)-N,N-dimethylpropanamide?
(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-3-(4-hydroxyphenyl)-N,N-dimethylpropanamide has a molecular weight of 734.15 g/mol, XLogP of 5.23, 11 rotatable bonds, 2 hydrogen bond donors, and 9 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]-3-(4-hydroxyphenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 11949858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).