2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide

C22H24N2O4S — CID 30259566

IUPAC2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide
SMILESCC(C)Oc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H24N2O4S/c1-16(2)28-21-12-10-20(11-13-21)24(29(3,26)27)15-22(25)23-19-9-8-17-6-4-5-7-18(17)14-19/h4-14,16H,15H2,1-3H3,(H,23,25)
InChIKeyNPTZLKUFCJGWFY-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.03
Rot. Bonds7

About 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide

2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide (PubChem CID 30259566) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide
PubChem CID30259566
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide
SMILESCC(C)Oc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H24N2O4S/c1-16(2)28-21-12-10-20(11-13-21)24(29(3,26)27)15-22(25)23-19-9-8-17-6-4-5-7-18(17)14-19/h4-14,16H,15H2,1-3H3,(H,23,25)
InChIKeyNPTZLKUFCJGWFY-UHFFFAOYSA-N
XLogP4.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide
CID 30168762
N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30260152
N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30264709
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 100543680
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275822
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105
2-(2-methoxy-N-methylsulfonylanilino)-N-naphthalen-2-ylacetamide
CID 1326815
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 133249920
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2281663
2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343028

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide (CID 30259566) is 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide is CC(C)Oc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide?
The InChIKey is NPTZLKUFCJGWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-16(2)28-21-12-10-20(11-13-21)24(29(3,26)27)15-22(25)23-19-9-8-17-6-4-5-7-18(17)14-19/h4-14,16H,15H2,1-3H3,(H,23,25).
What are the key properties of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide?
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide has a molecular weight of 412.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 30259566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).