1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide

C31H34ClN3O7S — CID 22560890

IUPAC1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(c3c(C)cccc3OC)(N3CCCC3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C31H34ClN3O7S/c1-19-9-7-11-25(41-5)28(19)31(34-16-8-10-24(34)29(36)33(2)3)22-17-20(32)12-14-23(22)35(30(31)37)43(38,39)27-15-13-21(40-4)18-26(27)42-6/h7,9,11-15,17-18,24H,8,10,16H2,1-6H3
InChIKeyAPJQLLMNCZDMAG-UHFFFAOYSA-N
MW628.15 g/mol
LogP4.21
Rot. Bonds8

About 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 22560890) has the molecular formula C31H34ClN3O7S and a molecular weight of 628.15 g/mol. Its IUPAC name is 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID22560890
Molecular FormulaC31H34ClN3O7S
Molecular Weight628.15 g/mol
Exact Mass627.18
IUPAC Name1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(c3c(C)cccc3OC)(N3CCCC3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C31H34ClN3O7S/c1-19-9-7-11-25(41-5)28(19)31(34-16-8-10-24(34)29(36)33(2)3)22-17-20(32)12-14-23(22)35(30(31)37)43(38,39)27-15-13-21(40-4)18-26(27)42-6/h7,9,11-15,17-18,24H,8,10,16H2,1-6H3
InChIKeyAPJQLLMNCZDMAG-UHFFFAOYSA-N
XLogP4.21
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.15
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 22560890) is 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2C(=O)C(c3c(C)cccc3OC)(N3CCCC3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is APJQLLMNCZDMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN3O7S/c1-19-9-7-11-25(41-5)28(19)31(34-16-8-10-24(34)29(36)33(2)3)22-17-20(32)12-14-23(22)35(30(31)37)43(38,39)27-15-13-21(40-4)18-26(27)42-6/h7,9,11-15,17-18,24H,8,10,16H2,1-6H3.
What are the key properties of 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 628.15 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-6-methylphenyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 22560890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).