(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide

C24H29N3O5S — CID 41094134

IUPAC(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O
InChIInChI=1S/C24H29N3O5S/c1-2-32-22-12-5-4-11-21(22)27-17-18(15-23(27)28)24(29)25-19-9-8-10-20(16-19)33(30,31)26-13-6-3-7-14-26/h4-5,8-12,16,18H,2-3,6-7,13-15,17H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyQZTUNIFZYFFHFZ-GOSISDBHSA-N
MW471.58 g/mol
LogP3.25
Rot. Bonds7

About (3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide

(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide (PubChem CID 41094134) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is (3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
PubChem CID41094134
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O
InChIInChI=1S/C24H29N3O5S/c1-2-32-22-12-5-4-11-21(22)27-17-18(15-23(27)28)24(29)25-19-9-8-10-20(16-19)33(30,31)26-13-6-3-7-14-26/h4-5,8-12,16,18H,2-3,6-7,13-15,17H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyQZTUNIFZYFFHFZ-GOSISDBHSA-N
XLogP3.25
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412968
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412970
(3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25345375
1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 55881506
(3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942162
N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
1-(2-ethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886195
(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245448
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2118403
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 55374582
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55711048

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide (CID 41094134) is (3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide is CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O.
What is the InChIKey of (3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QZTUNIFZYFFHFZ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-2-32-22-12-5-4-11-21(22)27-17-18(15-23(27)28)24(29)25-19-9-8-10-20(16-19)33(30,31)26-13-6-3-7-14-26/h4-5,8-12,16,18H,2-3,6-7,13-15,17H2,1H3,(H,25,29)/t18-/m1/s1.
What are the key properties of (3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide?
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 41094134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).