1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide

C23H27N3O5S — CID 43053304

IUPAC1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2=O)c1
InChIInChI=1S/C23H27N3O5S/c1-31-20-7-5-6-19(15-20)26-16-17(14-22(26)27)23(28)24-18-8-10-21(11-9-18)32(29,30)25-12-3-2-4-13-25/h5-11,15,17H,2-4,12-14,16H2,1H3,(H,24,28)
InChIKeyHSLSOTDRGJYJAX-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.86
Rot. Bonds6

About 1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide (PubChem CID 43053304) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
PubChem CID43053304
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2=O)c1
InChIInChI=1S/C23H27N3O5S/c1-31-20-7-5-6-19(15-20)26-16-17(14-22(26)27)23(28)24-18-8-10-21(11-9-18)32(29,30)25-12-3-2-4-13-25/h5-11,15,17H,2-4,12-14,16H2,1H3,(H,24,28)
InChIKeyHSLSOTDRGJYJAX-UHFFFAOYSA-N
XLogP2.86
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

(3R)-1-(4-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40963809
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932410
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40964173
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2118403
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 40775151
1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120734
(3R)-N-(4-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51720680
5-oxo-1-phenyl-N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153935
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 41236330
1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 43053907
(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25332767

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide (CID 43053304) is 1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is HSLSOTDRGJYJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-31-20-7-5-6-19(15-20)26-16-17(14-22(26)27)23(28)24-18-8-10-21(11-9-18)32(29,30)25-12-3-2-4-13-25/h5-11,15,17H,2-4,12-14,16H2,1H3,(H,24,28).
What are the key properties of 1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 43053304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).