2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

C20H23NO3S — CID 24688126

IUPAC2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1S(C)(=O)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23NO3S/c1-14(16-12-11-15-7-3-4-8-17(15)13-16)21-20(22)18-9-5-6-10-19(18)25(2,23)24/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyZYDWLIUJFKCKJZ-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.46
Rot. Bonds4

About 2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (PubChem CID 24688126) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
PubChem CID24688126
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1S(C)(=O)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23NO3S/c1-14(16-12-11-15-7-3-4-8-17(15)13-16)21-20(22)18-9-5-6-10-19(18)25(2,23)24/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyZYDWLIUJFKCKJZ-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

2-methylsulfanyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 99644786
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide
CID 94487723
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
2-methyl-5-sulfamoyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886555
1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide
CID 154850554
2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(methanesulfonamido)benzamide
CID 133189067
N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511270
4-(benzenesulfonylmethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55756465
3-fluoro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2941760
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51497914
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 133190853

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The IUPAC name of 2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (CID 24688126) is 2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The canonical SMILES for 2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1S(C)(=O)=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The InChIKey is ZYDWLIUJFKCKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-14(16-12-11-15-7-3-4-8-17(15)13-16)21-20(22)18-9-5-6-10-19(18)25(2,23)24/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,21,22).
What are the key properties of 2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide 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 2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is sourced from PubChem (CID 24688126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).