(2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide

C26H32N2O4S — CID 71532441

IUPAC(2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide
SMILESC[C@]1(C(=O)NC2C3CC4CC2CC(O)(C4)C3)CCCN1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C26H32N2O4S/c1-25(24(29)27-23-19-12-17-13-20(23)16-26(30,14-17)15-19)10-5-11-28(25)33(31,32)22-9-4-7-18-6-2-3-8-21(18)22/h2-4,6-9,17,19-20,23,30H,5,10-16H2,1H3,(H,27,29)/t17?,19?,20?,23?,25-,26?/m1/s1
InChIKeyNQOVLMGCDWQSNR-XWKPHWODSA-N
MW468.62 g/mol
LogP3.44
Rot. Bonds4

About (2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide

(2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 71532441) has the molecular formula C26H32N2O4S and a molecular weight of 468.62 g/mol. Its IUPAC name is (2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID71532441
Molecular FormulaC26H32N2O4S
Molecular Weight468.62 g/mol
Exact Mass468.21
IUPAC Name(2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide
SMILESC[C@]1(C(=O)NC2C3CC4CC2CC(O)(C4)C3)CCCN1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C26H32N2O4S/c1-25(24(29)27-23-19-12-17-13-20(23)16-26(30,14-17)15-19)10-5-11-28(25)33(31,32)22-9-4-7-18-6-2-3-8-21(18)22/h2-4,6-9,17,19-20,23,30H,5,10-16H2,1H3,(H,27,29)/t17?,19?,20?,23?,25-,26?/m1/s1
InChIKeyNQOVLMGCDWQSNR-XWKPHWODSA-N
XLogP3.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpyrrolidine-2-carboxamide
CID 71473430
(2R)-1-(4-aminophenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)-2-methylpiperidine-2-carboxamide
CID 71532687
(2S)-1-(4-fluorophenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)-2-prop-2-enylpyrrolidine-2-carboxamide
CID 71532689
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)piperidine-2-carboxamide
CID 90643789
N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide
CID 24955047
4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid
CID 166270228
4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035243
2-(4-benzylpiperidin-1-yl)-N-(5-hydroxy-2-adamantyl)propanamide
CID 11603631
2-[(2-aminophenyl)sulfonyl-methylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide
CID 90294167
N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 59658107
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide
CID 142675489
cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
CID 24945401

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide (CID 71532441) is (2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide is C[C@]1(C(=O)NC2C3CC4CC2CC(O)(C4)C3)CCCN1S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of (2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is NQOVLMGCDWQSNR-XWKPHWODSA-N. The full InChI is InChI=1S/C26H32N2O4S/c1-25(24(29)27-23-19-12-17-13-20(23)16-26(30,14-17)15-19)10-5-11-28(25)33(31,32)22-9-4-7-18-6-2-3-8-21(18)22/h2-4,6-9,17,19-20,23,30H,5,10-16H2,1H3,(H,27,29)/t17?,19?,20?,23?,25-,26?/m1/s1.
What are the key properties of (2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 468.62 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-hydroxy-2-adamantyl)-2-methyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71532441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).