3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide

C19H25NO3S — CID 43066743

IUPAC3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C19H25NO3S/c1-24(22,23)11-12-4-2-5-13(8-12)19(21)20-18-10-14-9-17(18)16-7-3-6-15(14)16/h2,4-5,8,14-18H,3,6-7,9-11H2,1H3,(H,20,21)
InChIKeyPBLJAHGHMGXKFZ-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.79
Rot. Bonds4

About 3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide

3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (PubChem CID 43066743) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
PubChem CID43066743
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C19H25NO3S/c1-24(22,23)11-12-4-2-5-13(8-12)19(21)20-18-10-14-9-17(18)16-7-3-6-15(14)16/h2,4-5,8,14-18H,3,6-7,9-11H2,1H3,(H,20,21)
InChIKeyPBLJAHGHMGXKFZ-UHFFFAOYSA-N
XLogP2.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 124791514
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43710188
4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 50909108
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfonylmethyl)benzamide
CID 9117814
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 42952135
4-acetamido-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43063071
N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide
CID 38335818
1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739142
5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide
CID 124740416
[3-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenyl]methanol;hydrochloride
CID 139951785
2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)pyridine-4-carboxylic acid
CID 122055921

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The IUPAC name of 3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (CID 43066743) is 3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.
What is the SMILES notation for 3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The canonical SMILES for 3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is CS(=O)(=O)Cc1cccc(C(=O)NC2CC3CC2C2CCCC32)c1.
What is the InChIKey of 3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The InChIKey is PBLJAHGHMGXKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-24(22,23)11-12-4-2-5-13(8-12)19(21)20-18-10-14-9-17(18)16-7-3-6-15(14)16/h2,4-5,8,14-18H,3,6-7,9-11H2,1H3,(H,20,21).
What are the key properties of 3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide has a molecular weight of 347.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is sourced from PubChem (CID 43066743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).