N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide

C21H22N2O3S — CID 24636391

IUPACN-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCC(NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O3S/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)23-21(24)14-11-16-9-12-18(13-10-16)27(22,25)26/h2-10,12-13,15H,11,14H2,1H3,(H,23,24)(H2,22,25,26)
InChIKeyGPKDZOWMMOTAPF-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.30
Rot. Bonds6

About N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide

N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 24636391) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID24636391
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCC(NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O3S/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)23-21(24)14-11-16-9-12-18(13-10-16)27(22,25)26/h2-10,12-13,15H,11,14H2,1H3,(H,23,24)(H2,22,25,26)
InChIKeyGPKDZOWMMOTAPF-UHFFFAOYSA-N
XLogP3.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 166187935
5-hydroxy-N-(1-naphthalen-1-ylethyl)pentanamide
CID 79199719
N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007316
3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51276671
N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
CID 55757507
N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide
CID 32648505
N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 60651368
N-(1-naphthalen-1-ylethyl)tetradecanamide
CID 86181225
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 28557375
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 43873806

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide (CID 24636391) is N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide is CC(NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is GPKDZOWMMOTAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)23-21(24)14-11-16-9-12-18(13-10-16)27(22,25)26/h2-10,12-13,15H,11,14H2,1H3,(H,23,24)(H2,22,25,26).
What are the key properties of N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide?
N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 382.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 24636391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).