N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide

C25H36N2O5S — CID 69082954

IUPACN-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1
InChIInChI=1S/C25H36N2O5S/c1-31-21-6-7-23(22(12-21)32-2)33(29,30)27-8-4-3-5-20(27)16-26-24(28)25-13-17-9-18(14-25)11-19(10-17)15-25/h6-7,12,17-20H,3-5,8-11,13-16H2,1-2H3,(H,26,28)
InChIKeyJZSVUMQHXVFTAA-UHFFFAOYSA-N
MW476.64 g/mol
LogP3.58
Rot. Bonds7

About N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide

N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide (PubChem CID 69082954) has the molecular formula C25H36N2O5S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
PubChem CID69082954
Molecular FormulaC25H36N2O5S
Molecular Weight476.64 g/mol
Exact Mass476.23
IUPAC NameN-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1
InChIInChI=1S/C25H36N2O5S/c1-31-21-6-7-23(22(12-21)32-2)33(29,30)27-8-4-3-5-20(27)16-26-24(28)25-13-17-9-18(14-25)11-19(10-17)15-25/h6-7,12,17-20H,3-5,8-11,13-16H2,1-2H3,(H,26,28)
InChIKeyJZSVUMQHXVFTAA-UHFFFAOYSA-N
XLogP3.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
CID 91398152
N-[[1-(3-aminophenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
CID 70266978
N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 42634675
N-[[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 69081431
1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578
N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide
CID 42635220
N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide
CID 69080854
methyl 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-3-methoxybenzoate
CID 120707972
N-(2,5-dimethoxyphenyl)-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562340
N-(2,5-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826823
4-(2-ethylpyrrolidin-1-yl)sulfonyl-3-methoxybenzoic acid
CID 102694755
5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052764

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide (CID 69082954) is N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1.
What is the InChIKey of N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide?
The InChIKey is JZSVUMQHXVFTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O5S/c1-31-21-6-7-23(22(12-21)32-2)33(29,30)27-8-4-3-5-20(27)16-26-24(28)25-13-17-9-18(14-25)11-19(10-17)15-25/h6-7,12,17-20H,3-5,8-11,13-16H2,1-2H3,(H,26,28).
What are the key properties of N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide?
N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide has a molecular weight of 476.64 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 69082954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).