2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C22H24N2O5S2 — CID 43896263

IUPAC2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H24N2O5S2/c1-16(17-11-13-19(14-12-17)30(2,26)27)23-22(25)15-24(31(3,28)29)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16H,15H2,1-3H3,(H,23,25)
InChIKeyRIPPPBQPKRWAPY-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.89
Rot. Bonds7

About 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 43896263) has the molecular formula C22H24N2O5S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID43896263
Molecular FormulaC22H24N2O5S2
Molecular Weight460.58 g/mol
Exact Mass460.11
IUPAC Name2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H24N2O5S2/c1-16(17-11-13-19(14-12-17)30(2,26)27)23-22(25)15-24(31(3,28)29)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16H,15H2,1-3H3,(H,23,25)
InChIKeyRIPPPBQPKRWAPY-UHFFFAOYSA-N
XLogP2.89
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43904526
2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30219626
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30223744
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43895448
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36612731
2-(2-methyl-N-methylsulfonyl-3-nitroanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132662537
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 99957493
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92675214
N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
CID 50895807
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30215942
2-(2-bromo-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 28633697
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 17489088

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 43896263) is 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CC(NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is RIPPPBQPKRWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S2/c1-16(17-11-13-19(14-12-17)30(2,26)27)23-22(25)15-24(31(3,28)29)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16H,15H2,1-3H3,(H,23,25).
What are the key properties of 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 460.58 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 43896263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).