(3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

C25H31N3O6S — CID 25345375

IUPAC(3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1=O
InChIInChI=1S/C25H31N3O6S/c1-3-34-23-10-6-5-9-21(23)28-17-18(15-24(28)29)25(30)26-20-16-19(11-12-22(20)33-2)35(31,32)27-13-7-4-8-14-27/h5-6,9-12,16,18H,3-4,7-8,13-15,17H2,1-2H3,(H,26,30)/t18-/m1/s1
InChIKeyDJJCVTHRHNDOSM-GOSISDBHSA-N
MW501.61 g/mol
LogP3.26
Rot. Bonds8

About (3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 25345375) has the molecular formula C25H31N3O6S and a molecular weight of 501.61 g/mol. Its IUPAC name is (3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID25345375
Molecular FormulaC25H31N3O6S
Molecular Weight501.61 g/mol
Exact Mass501.19
IUPAC Name(3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1=O
InChIInChI=1S/C25H31N3O6S/c1-3-34-23-10-6-5-9-21(23)28-17-18(15-24(28)29)25(30)26-20-16-19(11-12-22(20)33-2)35(31,32)27-13-7-4-8-14-27/h5-6,9-12,16,18H,3-4,7-8,13-15,17H2,1-2H3,(H,26,30)/t18-/m1/s1
InChIKeyDJJCVTHRHNDOSM-GOSISDBHSA-N
XLogP3.26
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.61
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942162
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 41094134
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734
(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
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
1-(2-ethoxyphenyl)-N-(2-methoxydibenzofuran-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3936641
(3S)-N-(2,5-dichlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260559
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 126397672
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885855
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 25345375) is (3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1=O.
What is the InChIKey of (3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DJJCVTHRHNDOSM-GOSISDBHSA-N. The full InChI is InChI=1S/C25H31N3O6S/c1-3-34-23-10-6-5-9-21(23)28-17-18(15-24(28)29)25(30)26-20-16-19(11-12-22(20)33-2)35(31,32)27-13-7-4-8-14-27/h5-6,9-12,16,18H,3-4,7-8,13-15,17H2,1-2H3,(H,26,30)/t18-/m1/s1.
What are the key properties of (3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 501.61 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 25345375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).