(2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

C32H33ClF3N3O9S — CID 59867844

IUPAC(2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1C1(N2C[C@H](O)C[C@H]2C(=O)N(C)C)C(=O)N(S(=O)(=O)c2cc(OC)c(OC)c(OC(F)(F)F)c2)c2ccc(Cl)cc21
InChIInChI=1S/C32H33ClF3N3O9S/c1-17-7-10-25(45-4)22(11-17)31(38-16-19(40)13-24(38)29(41)37(2)3)21-12-18(33)8-9-23(21)39(30(31)42)49(43,44)20-14-26(46-5)28(47-6)27(15-20)48-32(34,35)36/h7-12,14-15,19,24,40H,13,16H2,1-6H3/t19-,24+,31?/m1/s1
InChIKeyKYAXDMLWWHMHKW-KLYJSIMZSA-N
MW728.14 g/mol
LogP4.08
Rot. Bonds9

About (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

(2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 59867844) has the molecular formula C32H33ClF3N3O9S and a molecular weight of 728.14 g/mol. Its IUPAC name is (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID59867844
Molecular FormulaC32H33ClF3N3O9S
Molecular Weight728.14 g/mol
Exact Mass727.16
IUPAC Name(2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1C1(N2C[C@H](O)C[C@H]2C(=O)N(C)C)C(=O)N(S(=O)(=O)c2cc(OC)c(OC)c(OC(F)(F)F)c2)c2ccc(Cl)cc21
InChIInChI=1S/C32H33ClF3N3O9S/c1-17-7-10-25(45-4)22(11-17)31(38-16-19(40)13-24(38)29(41)37(2)3)21-12-18(33)8-9-23(21)39(30(31)42)49(43,44)20-14-26(46-5)28(47-6)27(15-20)48-32(34,35)36/h7-12,14-15,19,24,40H,13,16H2,1-6H3/t19-,24+,31?/m1/s1
InChIKeyKYAXDMLWWHMHKW-KLYJSIMZSA-N
XLogP4.08
TPSA135.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500728.14
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-1-[5-chloro-3-(5-chloro-2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867878
(2S,4R)-1-[5-amino-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867835
(2S,4R)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867957
3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxylic acid
CID 59867792
3-[(2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindole-5-carboxamide
CID 59867754
(2S,4R)-1-[5-chloro-3-(2,3-dimethoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867805
(2S,4R)-1-[5-chloro-3-[5-(1-hydroxyethyl)-2-methoxyphenyl]-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867854
(2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867797
(2S,4R)-1-[5-chloro-3-[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867799
(2S)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide
CID 59867793
(2S,4R)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867949
(2S,4R)-1-[5-bromo-3-(2-methoxy-5-methylphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxopyrrolo[2,3-b]pyridin-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867808

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (CID 59867844) is (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is COc1ccc(C)cc1C1(N2C[C@H](O)C[C@H]2C(=O)N(C)C)C(=O)N(S(=O)(=O)c2cc(OC)c(OC)c(OC(F)(F)F)c2)c2ccc(Cl)cc21.
What is the InChIKey of (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is KYAXDMLWWHMHKW-KLYJSIMZSA-N. The full InChI is InChI=1S/C32H33ClF3N3O9S/c1-17-7-10-25(45-4)22(11-17)31(38-16-19(40)13-24(38)29(41)37(2)3)21-12-18(33)8-9-23(21)39(30(31)42)49(43,44)20-14-26(46-5)28(47-6)27(15-20)48-32(34,35)36/h7-12,14-15,19,24,40H,13,16H2,1-6H3/t19-,24+,31?/m1/s1.
What are the key properties of (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
(2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 728.14 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-5-methylphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59867844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).