3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide

C20H24N2O4S — CID 113145353

IUPAC3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCC(=O)c1cccc(N(CCC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-14-8-9-18(12-15(14)2)21-20(24)10-11-22(27(4,25)26)19-7-5-6-17(13-19)16(3)23/h5-9,12-13H,10-11H2,1-4H3,(H,21,24)
InChIKeyAFYZOBNVPGKVFO-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.30
Rot. Bonds7

About 3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide

3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide (PubChem CID 113145353) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
PubChem CID113145353
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCC(=O)c1cccc(N(CCC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-14-8-9-18(12-15(14)2)21-20(24)10-11-22(27(4,25)26)19-7-5-6-17(13-19)16(3)23/h5-9,12-13H,10-11H2,1-4H3,(H,21,24)
InChIKeyAFYZOBNVPGKVFO-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-(3,4-dimethylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141510
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293
3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113145358
3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113145356
3-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113143922
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142623
N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944
N-(3,4-dimethylphenyl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53287006
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
3-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
CID 53280869
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide (CID 113145353) is 3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide is CC(=O)c1cccc(N(CCC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of 3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is AFYZOBNVPGKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-8-9-18(12-15(14)2)21-20(24)10-11-22(27(4,25)26)19-7-5-6-17(13-19)16(3)23/h5-9,12-13H,10-11H2,1-4H3,(H,21,24).
What are the key properties of 3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-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-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113145353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).