N-(4-methylphenyl)sulfonyladamantane-1-carboxamide

C18H23NO3S — CID 159904270

IUPACN-(4-methylphenyl)sulfonyladamantane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23NO3S/c1-12-2-4-16(5-3-12)23(21,22)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChIKeyRNYARJDXUVKLBY-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.02
Rot. Bonds3

About N-(4-methylphenyl)sulfonyladamantane-1-carboxamide

N-(4-methylphenyl)sulfonyladamantane-1-carboxamide (PubChem CID 159904270) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyladamantane-1-carboxamide
PubChem CID159904270
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(4-methylphenyl)sulfonyladamantane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23NO3S/c1-12-2-4-16(5-3-12)23(21,22)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChIKeyRNYARJDXUVKLBY-UHFFFAOYSA-N
XLogP3.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide
CID 126468671
N-[1-(1-adamantyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 561246
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 54787422
methyl (2S)-2-(1-adamantyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 7312748
methyl 2-(1-adamantyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 3937055
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 42634675
ethyl 4-[(adamantane-1-carbonylamino)sulfamoyl]benzoate
CID 4248662
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]adamantane-1-carboxamide
CID 27508752
(4-methylphenyl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate
CID 8888613

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyladamantane-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyladamantane-1-carboxamide (CID 159904270) is N-(4-methylphenyl)sulfonyladamantane-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyladamantane-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyladamantane-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyladamantane-1-carboxamide?
The InChIKey is RNYARJDXUVKLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-12-2-4-16(5-3-12)23(21,22)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20).
What are the key properties of N-(4-methylphenyl)sulfonyladamantane-1-carboxamide?
N-(4-methylphenyl)sulfonyladamantane-1-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyladamantane-1-carboxamide is sourced from PubChem (CID 159904270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).