N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

C21H23N3O5S — CID 5309759

IUPACN-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C21H23N3O5S/c1-29-16-7-5-15(6-8-16)22-21(26)19-3-2-12-24(19)30(27,28)17-9-10-18-14(13-17)4-11-20(25)23-18/h5-10,13,19H,2-4,11-12H2,1H3,(H,22,26)(H,23,25)
InChIKeyJXMTXOSQDINJBO-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.37
Rot. Bonds5

About N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide (PubChem CID 5309759) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
PubChem CID5309759
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C21H23N3O5S/c1-29-16-7-5-15(6-8-16)22-21(26)19-3-2-12-24(19)30(27,28)17-9-10-18-14(13-17)4-11-20(25)23-18/h5-10,13,19H,2-4,11-12H2,1H3,(H,22,26)(H,23,25)
InChIKeyJXMTXOSQDINJBO-UHFFFAOYSA-N
XLogP2.37
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

Act-462206
CID 40924317
Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
N-(4-methoxyphenyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3239722
N-(2,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3243018
(S)-1-[1-(Toluene-4-sulfonyl)-piperidine-4-carbonyl]-pyrrolidine-2-carboxylic acid (4-butoxy-phenyl)-amide
CID 9550037
2-(2-(4-ethoxy-N-(4-methoxyphenyl)phenylsulfonamido)acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 10208363
1-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 16031528
1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 18125907
(2S)-2-[[2-[4-(2-aminophenyl)sulfonyl-2-oxopiperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 141759412
(2S)-2-[[2-[4-(3-fluorophenyl)sulfonyl-2-oxopiperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 141759418
(2S)-2-[[2-[4-(benzenesulfonyl)-2-oxopiperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 141759419
(2S)-2-[[2-[4-(3-aminophenyl)sulfonyl-2-oxopiperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 141759420

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide (CID 5309759) is N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide?
The InChIKey is JXMTXOSQDINJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-29-16-7-5-15(6-8-16)22-21(26)19-3-2-12-24(19)30(27,28)17-9-10-18-14(13-17)4-11-20(25)23-18/h5-10,13,19H,2-4,11-12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide?
N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 5309759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).