4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

C27H30N2O3S — CID 133188274

IUPAC4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)c3ccc4c(c3)CCCC4)ccc2C)cc1
InChIInChI=1S/C27H30N2O3S/c1-18-8-14-25(15-9-18)29-33(31,32)26-17-24(11-10-19(26)2)27(30)28-20(3)22-13-12-21-6-4-5-7-23(21)16-22/h8-17,20,29H,4-7H2,1-3H3,(H,28,30)
InChIKeyCVZUFRNUENRWQF-UHFFFAOYSA-N
MW462.62 g/mol
LogP5.47
Rot. Bonds6

About 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (PubChem CID 133188274) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
PubChem CID133188274
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC Name4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)c3ccc4c(c3)CCCC4)ccc2C)cc1
InChIInChI=1S/C27H30N2O3S/c1-18-8-14-25(15-9-18)29-33(31,32)26-17-24(11-10-19(26)2)27(30)28-20(3)22-13-12-21-6-4-5-7-23(21)16-22/h8-17,20,29H,4-7H2,1-3H3,(H,28,30)
InChIKeyCVZUFRNUENRWQF-UHFFFAOYSA-N
XLogP5.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide with MolForge

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Related Compounds

4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 133188810
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 94018670
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46771208
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191328
4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 4268232
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814
4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide
CID 133188885

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (CID 133188274) is 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)c3ccc4c(c3)CCCC4)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The InChIKey is CVZUFRNUENRWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3S/c1-18-8-14-25(15-9-18)29-33(31,32)26-17-24(11-10-19(26)2)27(30)28-20(3)22-13-12-21-6-4-5-7-23(21)16-22/h8-17,20,29H,4-7H2,1-3H3,(H,28,30).
What are the key properties of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide has a molecular weight of 462.62 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is sourced from PubChem (CID 133188274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).