3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide

C20H24N2O3S — CID 134044129

IUPAC3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCc3ccccc32)cc1NS(C)(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-14-10-11-16(12-19(14)22-26(2,24)25)20(23)21-13-17-8-5-7-15-6-3-4-9-18(15)17/h3-4,6,9-12,17,22H,5,7-8,13H2,1-2H3,(H,21,23)
InChIKeyNEGZJHYMGOXZJV-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.22
Rot. Bonds5

About 3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide

3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide (PubChem CID 134044129) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
PubChem CID134044129
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCc3ccccc32)cc1NS(C)(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-14-10-11-16(12-19(14)22-26(2,24)25)20(23)21-13-17-8-5-7-15-6-3-4-9-18(15)17/h3-4,6,9-12,17,22H,5,7-8,13H2,1-2H3,(H,21,23)
InChIKeyNEGZJHYMGOXZJV-UHFFFAOYSA-N
XLogP3.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
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
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
5-(diethylsulfamoyl)-2-methyl-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
CID 51870529
5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
CID 51870530
4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46420133
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461880
tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate
CID 46578833
2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide
CID 95057098
4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide
CID 86994987
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 98755984
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126767967

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide (CID 134044129) is 3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide is Cc1ccc(C(=O)NCC2CCCc3ccccc32)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
The InChIKey is NEGZJHYMGOXZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-10-11-16(12-19(14)22-26(2,24)25)20(23)21-13-17-8-5-7-15-6-3-4-9-18(15)17/h3-4,6,9-12,17,22H,5,7-8,13H2,1-2H3,(H,21,23).
What are the key properties of 3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide is sourced from PubChem (CID 134044129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).