3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide

C20H24N2O4S — CID 113145356

IUPAC3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
SMILESCC(=O)c1cccc(N(CCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-14-7-5-10-19(15(14)2)21-20(24)11-12-22(27(4,25)26)18-9-6-8-17(13-18)16(3)23/h5-10,13H,11-12H2,1-4H3,(H,21,24)
InChIKeyGATOPGQYXLEWQX-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.30
Rot. Bonds7

About 3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide

3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 113145356) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
PubChem CID113145356
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
SMILESCC(=O)c1cccc(N(CCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-14-7-5-10-19(15(14)2)21-20(24)11-12-22(27(4,25)26)18-9-6-8-17(13-18)16(3)23/h5-10,13H,11-12H2,1-4H3,(H,21,24)
InChIKeyGATOPGQYXLEWQX-UHFFFAOYSA-N
XLogP3.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 113144630
3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113145353
3-(3-cyano-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113146886
3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113145358
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2712117
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 2970076
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113155566
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(2,3-dimethylphenyl)butanamide
CID 53287609
N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide (CID 113145356) is 3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide is CC(=O)c1cccc(N(CCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1.
What is the InChIKey of 3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is GATOPGQYXLEWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-7-5-10-19(15(14)2)21-20(24)11-12-22(27(4,25)26)18-9-6-8-17(13-18)16(3)23/h5-10,13H,11-12H2,1-4H3,(H,21,24).
What are the key properties of 3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide?
3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 113145356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).