(2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C25H24N4O4S — CID 41066099

IUPAC(2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(-c2noc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C25H24N4O4S/c1-17-8-10-19(11-9-17)24-27-23(33-28-24)16-26-25(30)22-7-4-14-29(22)34(31,32)21-13-12-18-5-2-3-6-20(18)15-21/h2-3,5-6,8-13,15,22H,4,7,14,16H2,1H3,(H,26,30)/t22-/m1/s1
InChIKeyXUHKLZOEMSVWQA-JOCHJYFZSA-N
MW476.56 g/mol
LogP3.67
Rot. Bonds6

About (2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

(2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 41066099) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is (2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID41066099
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name(2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(-c2noc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C25H24N4O4S/c1-17-8-10-19(11-9-17)24-27-23(33-28-24)16-26-25(30)22-7-4-14-29(22)34(31,32)21-13-12-18-5-2-3-6-20(18)15-21/h2-3,5-6,8-13,15,22H,4,7,14,16H2,1H3,(H,26,30)/t22-/m1/s1
InChIKeyXUHKLZOEMSVWQA-JOCHJYFZSA-N
XLogP3.67
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43889559
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 990825
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 17358775
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30153369
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 42983453
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100650655

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 41066099) is (2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is Cc1ccc(-c2noc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of (2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is XUHKLZOEMSVWQA-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-17-8-10-19(11-9-17)24-27-23(33-28-24)16-26-25(30)22-7-4-14-29(22)34(31,32)21-13-12-18-5-2-3-6-20(18)15-21/h2-3,5-6,8-13,15,22H,4,7,14,16H2,1H3,(H,26,30)/t22-/m1/s1.
What are the key properties of (2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 41066099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).