N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide

C24H33ClN2O3S — CID 91398152

IUPACN-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCCC1CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33ClN2O3S/c1-16-21(25)6-4-7-22(16)31(29,30)27-8-3-2-5-20(27)15-26-23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h4,6-7,17-20H,2-3,5,8-15H2,1H3,(H,26,28)
InChIKeyLPASKQOICVJQQY-UHFFFAOYSA-N
MW465.06 g/mol
LogP4.52
Rot. Bonds5

About N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide

N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide (PubChem CID 91398152) has the molecular formula C24H33ClN2O3S and a molecular weight of 465.06 g/mol. Its IUPAC name is N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
PubChem CID91398152
Molecular FormulaC24H33ClN2O3S
Molecular Weight465.06 g/mol
Exact Mass464.19
IUPAC NameN-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCCC1CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33ClN2O3S/c1-16-21(25)6-4-7-22(16)31(29,30)27-8-3-2-5-20(27)15-26-23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h4,6-7,17-20H,2-3,5,8-15H2,1H3,(H,26,28)
InChIKeyLPASKQOICVJQQY-UHFFFAOYSA-N
XLogP4.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.06
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide
CID 70266745
N-[[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 69081431
2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid
CID 61009148
N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 42634675
N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70730171
N-[[1-(3-aminophenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
CID 70266978
N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
CID 69082954
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)piperidine-2-carboxamide
CID 90643789
N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide
CID 69080854
1-[(2S)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574941
3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584768

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide (CID 91398152) is N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CCCCC1CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide?
The InChIKey is LPASKQOICVJQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O3S/c1-16-21(25)6-4-7-22(16)31(29,30)27-8-3-2-5-20(27)15-26-23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h4,6-7,17-20H,2-3,5,8-15H2,1H3,(H,26,28).
What are the key properties of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide?
N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide has a molecular weight of 465.06 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 91398152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).