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

C30H30ClF3N4O9S — CID 59867809

IUPAC(2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1cc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc(OC(F)(F)F)c1OC
InChIInChI=1S/C30H30ClF3N4O9S/c1-36(2)27(40)22-12-17(39)15-37(22)29(19-7-6-10-35-26(19)46-5)20-11-16(31)8-9-21(20)38(28(29)41)48(42,43)18-13-23(44-3)25(45-4)24(14-18)47-30(32,33)34/h6-11,13-14,17,22,39H,12,15H2,1-5H3/t17-,22+,29?/m1/s1
InChIKeyVVDAOZXDNNCNBL-RHVJVAFESA-N
MW715.10 g/mol
LogP3.16
Rot. Bonds9

About (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-3-pyridinyl)-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-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 59867809) has the molecular formula C30H30ClF3N4O9S and a molecular weight of 715.10 g/mol. Its IUPAC name is (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-3-pyridinyl)-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-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID59867809
Molecular FormulaC30H30ClF3N4O9S
Molecular Weight715.10 g/mol
Exact Mass714.14
IUPAC Name(2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1cc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc(OC(F)(F)F)c1OC
InChIInChI=1S/C30H30ClF3N4O9S/c1-36(2)27(40)22-12-17(39)15-37(22)29(19-7-6-10-35-26(19)46-5)20-11-16(31)8-9-21(20)38(28(29)41)48(42,43)18-13-23(44-3)25(45-4)24(14-18)47-30(32,33)34/h6-11,13-14,17,22,39H,12,15H2,1-5H3/t17-,22+,29?/m1/s1
InChIKeyVVDAOZXDNNCNBL-RHVJVAFESA-N
XLogP3.16
TPSA148.04 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.10
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-3-pyridinyl)-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

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-3-pyridinyl)-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-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (CID 59867809) is (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-3-pyridinyl)-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-3-pyridinyl)-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-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is COc1cc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc(OC(F)(F)F)c1OC.
What is the InChIKey of (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is VVDAOZXDNNCNBL-RHVJVAFESA-N. The full InChI is InChI=1S/C30H30ClF3N4O9S/c1-36(2)27(40)22-12-17(39)15-37(22)29(19-7-6-10-35-26(19)46-5)20-11-16(31)8-9-21(20)38(28(29)41)48(42,43)18-13-23(44-3)25(45-4)24(14-18)47-30(32,33)34/h6-11,13-14,17,22,39H,12,15H2,1-5H3/t17-,22+,29?/m1/s1.
What are the key properties of (2S,4R)-1-[5-chloro-1-[3,4-dimethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-3-(2-methoxy-3-pyridinyl)-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-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 715.10 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 11 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-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59867809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).