2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide

C21H22N2O3S — CID 46404019

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O3S/c1-16(19-14-8-10-17-9-6-7-13-20(17)19)22-21(24)15-23(2)27(25,26)18-11-4-3-5-12-18/h3-14,16H,15H2,1-2H3,(H,22,24)
InChIKeyNDKOKHOGDKXMSK-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.34
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 46404019) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
PubChem CID46404019
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O3S/c1-16(19-14-8-10-17-9-6-7-13-20(17)19)22-21(24)15-23(2)27(25,26)18-11-4-3-5-12-18/h3-14,16H,15H2,1-2H3,(H,22,24)
InChIKeyNDKOKHOGDKXMSK-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43891548
2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 166187935
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26085188
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26618752
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544990
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401362
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28546628
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46404131
2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 55411329
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide (CID 46404019) is 2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide is CC(NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The InChIKey is NDKOKHOGDKXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-16(19-14-8-10-17-9-6-7-13-20(17)19)22-21(24)15-23(2)27(25,26)18-11-4-3-5-12-18/h3-14,16H,15H2,1-2H3,(H,22,24).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 46404019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).