(2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

C30H31Cl2N3O8S — CID 11707324

IUPAC(2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)c(Cl)cc32)c(OC)c1
InChIInChI=1S/C30H31Cl2N3O8S/c1-33(2)28(37)24-12-17(36)16-34(24)30(19-8-6-7-9-25(19)42-4)20-14-21(31)22(32)15-23(20)35(29(30)38)44(39,40)27-11-10-18(41-3)13-26(27)43-5/h6-11,13-15,17,24,36H,12,16H2,1-5H3/t17-,24+,30+/m1/s1
InChIKeyARUVGFCZTISCCH-NNSIXKAWSA-N
MW664.56 g/mol
LogP3.52
Rot. Bonds8

About (2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

(2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 11707324) has the molecular formula C30H31Cl2N3O8S and a molecular weight of 664.56 g/mol. Its IUPAC name is (2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID11707324
Molecular FormulaC30H31Cl2N3O8S
Molecular Weight664.56 g/mol
Exact Mass663.12
IUPAC Name(2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)c(Cl)cc32)c(OC)c1
InChIInChI=1S/C30H31Cl2N3O8S/c1-33(2)28(37)24-12-17(36)16-34(24)30(19-8-6-7-9-25(19)42-4)20-14-21(31)22(32)15-23(20)35(29(30)38)44(39,40)27-11-10-18(41-3)13-26(27)43-5/h6-11,13-15,17,24,36H,12,16H2,1-5H3/t17-,24+,30+/m1/s1
InChIKeyARUVGFCZTISCCH-NNSIXKAWSA-N
XLogP3.52
TPSA125.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-6-methyl-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide
CID 10211559
[(3R,5S)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl] 2-methylpropanoate
CID 10484865
2-[(3R,5S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyacetic acid
CID 69412386
(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-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-[1-(2,4-dimethoxyphenyl)sulfonyl-5-iodo-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxypyrrolidin-2-yl] N,N-dimethylcarbamate
CID 69399633
(2S,4R)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 67043832
(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-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
(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-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
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

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (CID 11707324) is (2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)c(Cl)cc32)c(OC)c1.
What is the InChIKey of (2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ARUVGFCZTISCCH-NNSIXKAWSA-N. The full InChI is InChI=1S/C30H31Cl2N3O8S/c1-33(2)28(37)24-12-17(36)16-34(24)30(19-8-6-7-9-25(19)42-4)20-14-21(31)22(32)15-23(20)35(29(30)38)44(39,40)27-11-10-18(41-3)13-26(27)43-5/h6-11,13-15,17,24,36H,12,16H2,1-5H3/t17-,24+,30+/m1/s1.
What are the key properties of (2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
(2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 664.56 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(3R)-5,6-dichloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11707324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).