(3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C26H33N3O5S — CID 40942162

IUPAC(3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1
InChIInChI=1S/C26H33N3O5S/c1-3-19-10-6-7-11-23(19)29-18-20(16-25(29)30)26(31)27-22-17-21(12-13-24(22)34-4-2)35(32,33)28-14-8-5-9-15-28/h6-7,10-13,17,20H,3-5,8-9,14-16,18H2,1-2H3,(H,27,31)/t20-/m1/s1
InChIKeyFVALMAIQPXWVKV-HXUWFJFHSA-N
MW499.63 g/mol
LogP3.81
Rot. Bonds8

About (3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 40942162) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is (3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID40942162
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC Name(3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1
InChIInChI=1S/C26H33N3O5S/c1-3-19-10-6-7-11-23(19)29-18-20(16-25(29)30)26(31)27-22-17-21(12-13-24(22)34-4-2)35(32,33)28-14-8-5-9-15-28/h6-7,10-13,17,20H,3-5,8-9,14-16,18H2,1-2H3,(H,27,31)/t20-/m1/s1
InChIKeyFVALMAIQPXWVKV-HXUWFJFHSA-N
XLogP3.81
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25345375
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 41094134
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
1-(2-ethylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120527
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2118403
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120416

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 40942162) is (3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1.
What is the InChIKey of (3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FVALMAIQPXWVKV-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-3-19-10-6-7-11-23(19)29-18-20(16-25(29)30)26(31)27-22-17-21(12-13-24(22)34-4-2)35(32,33)28-14-8-5-9-15-28/h6-7,10-13,17,20H,3-5,8-9,14-16,18H2,1-2H3,(H,27,31)/t20-/m1/s1.
What are the key properties of (3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 499.63 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40942162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).