(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide

C22H22N2O4S — CID 1296474

IUPAC(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O4S/c1-28-17-11-13-18(14-12-17)29(26,27)24-15-5-10-21(24)22(25)23-20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-9,11-14,21H,5,10,15H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyZOBMQTFGGYXTRK-OAQYLSRUSA-N
MW410.50 g/mol
LogP3.64
Rot. Bonds5

About (2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide

(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide (PubChem CID 1296474) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
PubChem CID1296474
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O4S/c1-28-17-11-13-18(14-12-17)29(26,27)24-15-5-10-21(24)22(25)23-20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-9,11-14,21H,5,10,15H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyZOBMQTFGGYXTRK-OAQYLSRUSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 992693
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 30127788
(2S)-N-(2-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 8926953
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
methyl 1-methyl-4-[(2R)-2-(naphthalen-1-ylcarbamoyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 95063627
(2R)-N-(1,3-dioxoisoindol-4-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40924024
(2R)-1-(4-methoxyphenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)pyrrolidine-2-carboxamide
CID 40924062
N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827643
1-(4-methoxyphenyl)sulfonyl-N'-(2-phenylacetyl)pyrrolidine-2-carbohydrazide
CID 42916304
ethyl 1-methyl-4-[(2R)-2-(naphthalen-1-ylcarbamoyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 93052758
(2S)-N-(5-chloro-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 8927392
methyl 4-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304571

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide (CID 1296474) is (2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
The InChIKey is ZOBMQTFGGYXTRK-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-28-17-11-13-18(14-12-17)29(26,27)24-15-5-10-21(24)22(25)23-20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-9,11-14,21H,5,10,15H2,1H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 1296474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).