N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide

C24H33ClN2O3S — CID 70266745

IUPACN-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H33ClN2O3S/c1-16-21(25)3-2-4-22(16)31(29,30)27-7-5-17(6-8-27)15-26-23(28)24-12-18-9-19(13-24)11-20(10-18)14-24/h2-4,17-20H,5-15H2,1H3,(H,26,28)
InChIKeyJAFDXVFCPHBGSP-UHFFFAOYSA-N
MW465.06 g/mol
LogP4.38
Rot. Bonds5

About N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide

N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide (PubChem CID 70266745) 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-4-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide
PubChem CID70266745
Molecular FormulaC24H33ClN2O3S
Molecular Weight465.06 g/mol
Exact Mass464.19
IUPAC NameN-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H33ClN2O3S/c1-16-21(25)3-2-4-22(16)31(29,30)27-7-5-17(6-8-27)15-26-23(28)24-12-18-9-19(13-24)11-20(10-18)14-24/h2-4,17-20H,5-15H2,1H3,(H,26,28)
InChIKeyJAFDXVFCPHBGSP-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
CID 91398152
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
CID 167889276
N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide
CID 42634341
methyl 3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-methylbenzoate;hydrochloride
CID 119990476
N-[[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 69081431
1-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea
CID 71064735
methyl 2-methyl-3-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119978272
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide
CID 16896113
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 53070929
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide (CID 70266745) is N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CCC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide?
The InChIKey is JAFDXVFCPHBGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O3S/c1-16-21(25)3-2-4-22(16)31(29,30)27-7-5-17(6-8-27)15-26-23(28)24-12-18-9-19(13-24)11-20(10-18)14-24/h2-4,17-20H,5-15H2,1H3,(H,26,28).
What are the key properties of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide?
N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide has a molecular weight of 465.06 g/mol, XLogP of 4.38, 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-4-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 70266745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).