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

C22H24N2O3S — CID 30168762

IUPAC2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide
SMILESCC(C)c1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H24N2O3S/c1-16(2)17-9-12-21(13-10-17)24(28(3,26)27)15-22(25)23-20-11-8-18-6-4-5-7-19(18)14-20/h4-14,16H,15H2,1-3H3,(H,23,25)
InChIKeyOBVPEKUWJCHOAG-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.37
Rot. Bonds6

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

2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide (PubChem CID 30168762) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide
PubChem CID30168762
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide
SMILESCC(C)c1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H24N2O3S/c1-16(2)17-9-12-21(13-10-17)24(28(3,26)27)15-22(25)23-20-11-8-18-6-4-5-7-19(18)14-20/h4-14,16H,15H2,1-3H3,(H,23,25)
InChIKeyOBVPEKUWJCHOAG-UHFFFAOYSA-N
XLogP4.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide
CID 30259566
2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343028
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343111
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095230
2-(2-methoxy-N-methylsulfonylanilino)-N-naphthalen-2-ylacetamide
CID 1326815
N-(2-methoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 113154354
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(2-phenylphenyl)acetamide
CID 126124352
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095277
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1321632
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-naphthalen-2-ylacetamide
CID 1103810
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide (CID 30168762) is 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide is CC(C)c1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide?
The InChIKey is OBVPEKUWJCHOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-16(2)17-9-12-21(13-10-17)24(28(3,26)27)15-22(25)23-20-11-8-18-6-4-5-7-19(18)14-20/h4-14,16H,15H2,1-3H3,(H,23,25).
What are the key properties of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide?
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide has a molecular weight of 396.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 30168762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).