2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide

C20H23NO3S — CID 23509730

IUPAC2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC1CCCc2ccccc2C1
InChIInChI=1S/C20H23NO3S/c1-14-10-11-18(25(2,23)24)13-19(14)20(22)21-17-9-5-8-15-6-3-4-7-16(15)12-17/h3-4,6-7,10-11,13,17H,5,8-9,12H2,1-2H3,(H,21,22)
InChIKeyBWQWWQGZPZLFCO-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.08
Rot. Bonds3

About 2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide

2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide (PubChem CID 23509730) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
PubChem CID23509730
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC1CCCc2ccccc2C1
InChIInChI=1S/C20H23NO3S/c1-14-10-11-18(25(2,23)24)13-19(14)20(22)21-17-9-5-8-15-6-3-4-7-16(15)12-17/h3-4,6-7,10-11,13,17H,5,8-9,12H2,1-2H3,(H,21,22)
InChIKeyBWQWWQGZPZLFCO-UHFFFAOYSA-N
XLogP3.08
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide
CID 68792799
2-chloro-5-(dimethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55339904
2-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 10199216
4-hydroxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103865106
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509731
2-methyl-5-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2361857
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide
CID 91516996
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide
CID 91132074
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
(3S)-2-(2-methyl-5-methylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94868099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide (CID 23509730) is 2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1CCCc2ccccc2C1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
The InChIKey is BWQWWQGZPZLFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-14-10-11-18(25(2,23)24)13-19(14)20(22)21-17-9-5-8-15-6-3-4-7-16(15)12-17/h3-4,6-7,10-11,13,17H,5,8-9,12H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide is sourced from PubChem (CID 23509730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).