N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C20H23NO3S — CID 34194248

IUPACN-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23NO3S/c1-14-7-10-18(25(2,23)24)13-19(14)21-20(22)12-15-8-9-16-5-3-4-6-17(16)11-15/h7-11,13H,3-6,12H2,1-2H3,(H,21,22)
InChIKeyLCAASHWRUQKXPZ-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.46
Rot. Bonds4

About N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 34194248) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID34194248
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23NO3S/c1-14-7-10-18(25(2,23)24)13-19(14)21-20(22)12-15-8-9-16-5-3-4-6-17(16)11-15/h7-11,13H,3-6,12H2,1-2H3,(H,21,22)
InChIKeyLCAASHWRUQKXPZ-UHFFFAOYSA-N
XLogP3.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 120568967
N-(2-methoxy-5-sulfamoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51281096
2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 79851670
2-(1-aminocyclopentyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 64685014
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8637936
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 51073188
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 24635858
N-(2-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 34749475
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 55545741
4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 33002263

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 34194248) is N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is LCAASHWRUQKXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-14-7-10-18(25(2,23)24)13-19(14)21-20(22)12-15-8-9-16-5-3-4-6-17(16)11-15/h7-11,13H,3-6,12H2,1-2H3,(H,21,22).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 34194248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).