1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide

C22H23N3O5S — CID 108789855

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc3cccnc23)cc1OC
InChIInChI=1S/C22H23N3O5S/c1-29-19-11-10-16(14-20(19)30-2)31(27,28)25-13-5-9-18(25)22(26)24-17-8-3-6-15-7-4-12-23-21(15)17/h3-4,6-8,10-12,14,18H,5,9,13H2,1-2H3,(H,24,26)
InChIKeyCJVIBXRSBDAQAS-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.04
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide

1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide (PubChem CID 108789855) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
PubChem CID108789855
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc3cccnc23)cc1OC
InChIInChI=1S/C22H23N3O5S/c1-29-19-11-10-16(14-20(19)30-2)31(27,28)25-13-5-9-18(25)22(26)24-17-8-3-6-15-7-4-12-23-21(15)17/h3-4,6-8,10-12,14,18H,5,9,13H2,1-2H3,(H,24,26)
InChIKeyCJVIBXRSBDAQAS-UHFFFAOYSA-N
XLogP3.04
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 108802609
1-(3,4-dimethoxyphenyl)sulfonyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 108789805
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 18846703
1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 5309619
3-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 108789701
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 108802649
N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108802633
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide
CID 108789867
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 108745181
N-(4-anilinophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108789803
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18846716
(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 1296474

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide (CID 108789855) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc3cccnc23)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide?
The InChIKey is CJVIBXRSBDAQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-29-19-11-10-16(14-20(19)30-2)31(27,28)25-13-5-9-18(25)22(26)24-17-8-3-6-15-7-4-12-23-21(15)17/h3-4,6-8,10-12,14,18H,5,9,13H2,1-2H3,(H,24,26).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide?
1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 108789855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).