1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide

C23H27N3O5S — CID 6494513

IUPAC1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1
InChIInChI=1S/C23H27N3O5S/c1-2-31-20-9-7-19(8-10-20)26-16-17(15-22(26)27)23(28)24-18-5-11-21(12-6-18)32(29,30)25-13-3-4-14-25/h5-12,17H,2-4,13-16H2,1H3,(H,24,28)
InChIKeyKCCGAMQTMDNHPO-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.86
Rot. Bonds7

About 1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide

1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide (PubChem CID 6494513) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
PubChem CID6494513
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1
InChIInChI=1S/C23H27N3O5S/c1-2-31-20-9-7-19(8-10-20)26-16-17(15-22(26)27)23(28)24-18-5-11-21(12-6-18)32(29,30)25-13-3-4-14-25/h5-12,17H,2-4,13-16H2,1H3,(H,24,28)
InChIKeyKCCGAMQTMDNHPO-UHFFFAOYSA-N
XLogP2.86
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 3153845
5-Oxo-1-(4-propoxy-phenyl)-pyrrolidine-3-carboxylic acid isopropylamide
CID 651536
4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239
4-(2-{[1-(4-Butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzenesulfonamide
CID 2869088
4-[2-({1-[4-(Hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}amino)ethyl]benzenesulfonamide
CID 3116100
N-(4-Ethoxyphenyl)-3-[4-(4-methoxybenzenesulfonyl)piperazin-1-YL]propanamide
CID 9550798
N-(3-((4-ethoxyphenyl)amino)-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585954
(S)-1-[1-(Toluene-4-sulfonyl)-piperidine-4-carbonyl]-pyrrolidine-2-carboxylic acid (4-butoxy-phenyl)-amide
CID 9550037
N-(4-butoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372868
1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926591
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 16031722
N-(2,4-difluorophenyl)[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carboxamide
CID 647182

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide (CID 6494513) is 1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is KCCGAMQTMDNHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-2-31-20-9-7-19(8-10-20)26-16-17(15-22(26)27)23(28)24-18-5-11-21(12-6-18)32(29,30)25-13-3-4-14-25/h5-12,17H,2-4,13-16H2,1H3,(H,24,28).
What are the key properties of 1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 6494513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).