3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide

C20H24N2O4S — CID 113145404

IUPAC3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)c1ccc(N(CCC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-4-6-17(7-5-15)14-21-20(24)12-13-22(27(3,25)26)19-10-8-18(9-11-19)16(2)23/h4-11H,12-14H2,1-3H3,(H,21,24)
InChIKeyIDZXNULHWILESO-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.67
Rot. Bonds8

About 3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide

3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 113145404) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID113145404
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)c1ccc(N(CCC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-4-6-17(7-5-15)14-21-20(24)12-13-22(27(3,25)26)19-10-8-18(9-11-19)16(2)23/h4-11H,12-14H2,1-3H3,(H,21,24)
InChIKeyIDZXNULHWILESO-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113155611
3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113141907
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
3-(4-acetyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145417
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide
CID 17433674
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
3-(2-cyano-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113146724
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 113147322

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide (CID 113145404) is 3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide is CC(=O)c1ccc(N(CCC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is IDZXNULHWILESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-4-6-17(7-5-15)14-21-20(24)12-13-22(27(3,25)26)19-10-8-18(9-11-19)16(2)23/h4-11H,12-14H2,1-3H3,(H,21,24).
What are the key properties of 3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide?
3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 388.49 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113145404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).