3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide

C20H24N2O4S — CID 113145358

IUPAC3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-16-8-10-18(11-9-16)21-20(24)12-13-22(27(3,25)26)19-7-5-6-17(14-19)15(2)23/h5-11,14H,4,12-13H2,1-3H3,(H,21,24)
InChIKeyVPHLYXUIZXIQMM-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.25
Rot. Bonds8

About 3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide

3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide (PubChem CID 113145358) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
PubChem CID113145358
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-16-8-10-18(11-9-16)21-20(24)12-13-22(27(3,25)26)19-7-5-6-17(14-19)15(2)23/h5-11,14H,4,12-13H2,1-3H3,(H,21,24)
InChIKeyVPHLYXUIZXIQMM-UHFFFAOYSA-N
XLogP3.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324
3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113145353
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927
3-(3-acetyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113145356
N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142761
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide (CID 113145358) is 3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
The InChIKey is VPHLYXUIZXIQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-16-8-10-18(11-9-16)21-20(24)12-13-22(27(3,25)26)19-7-5-6-17(14-19)15(2)23/h5-11,14H,4,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.25, 8 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-(4-ethylphenyl)propanamide is sourced from PubChem (CID 113145358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).