2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide

C22H28N2O4S — CID 112807233

IUPAC2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C22H28N2O4S/c1-6-16(3)24(14-22(26)23-21-12-7-9-15(2)17(21)4)29(27,28)20-11-8-10-19(13-20)18(5)25/h7-13,16H,6,14H2,1-5H3,(H,23,26)
InChIKeyOHKIJUAMAUQHHS-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.93
Rot. Bonds8

About 2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide

2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 112807233) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID112807233
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C22H28N2O4S/c1-6-16(3)24(14-22(26)23-21-12-7-9-15(2)17(21)4)29(27,28)20-11-8-10-19(13-20)18(5)25/h7-13,16H,6,14H2,1-5H3,(H,23,26)
InChIKeyOHKIJUAMAUQHHS-UHFFFAOYSA-N
XLogP3.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
CID 60707719
N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 112807272
3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2085095
3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113145356
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
2-[acetyl(2-methylpropyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113158912
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113116210
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-(2,3-dimethylphenyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314170
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393924
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393920

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide (CID 112807233) is 2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide is CCC(C)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is OHKIJUAMAUQHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-6-16(3)24(14-22(26)23-21-12-7-9-15(2)17(21)4)29(27,28)20-11-8-10-19(13-20)18(5)25/h7-13,16H,6,14H2,1-5H3,(H,23,26).
What are the key properties of 2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 112807233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).