N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide

C23H32N2O4S — CID 42635220

IUPACN-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide
SMILESCOc1ccccc1S(=O)(=O)N1CCCC1CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O4S/c1-29-20-6-2-3-7-21(20)30(27,28)25-8-4-5-19(25)12-22(26)24-23-13-16-9-17(14-23)11-18(10-16)15-23/h2-3,6-7,16-19H,4-5,8-15H2,1H3,(H,24,26)
InChIKeyQXKNFFHQMSKSBV-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.32
Rot. Bonds6

About N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide

N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide (PubChem CID 42635220) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide
PubChem CID42635220
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide
SMILESCOc1ccccc1S(=O)(=O)N1CCCC1CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O4S/c1-29-20-6-2-3-7-21(20)30(27,28)25-8-4-5-19(25)12-22(26)24-23-13-16-9-17(14-23)11-18(10-16)15-23/h2-3,6-7,16-19H,4-5,8-15H2,1H3,(H,24,26)
InChIKeyQXKNFFHQMSKSBV-UHFFFAOYSA-N
XLogP3.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-N-[(5S,7R)-3-methyl-1-adamantyl]acetamide
CID 143812145
N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
CID 69082954
methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate
CID 115279294
(2S,3S)-1-(2-methoxyphenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105449
N-(2-methoxyphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574540
2-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide
CID 70268711
N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 69082798
N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide
CID 9345285
methyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 79028511
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42065114
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 16826819
(2S)-2-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 97000881

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide (CID 42635220) is N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide is COc1ccccc1S(=O)(=O)N1CCCC1CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide?
The InChIKey is QXKNFFHQMSKSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-29-20-6-2-3-7-21(20)30(27,28)25-8-4-5-19(25)12-22(26)24-23-13-16-9-17(14-23)11-18(10-16)15-23/h2-3,6-7,16-19H,4-5,8-15H2,1H3,(H,24,26).
What are the key properties of N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide?
N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide has a molecular weight of 432.59 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide is sourced from PubChem (CID 42635220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).