N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide

C19H22N2O4S — CID 113141984

IUPACN-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(c2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-4-10-18(11-5-14)21(26(3,24)25)13-12-19(23)20-17-8-6-16(7-9-17)15(2)22/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyKLYLIFJRFOSSTK-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.99
Rot. Bonds7

About N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide

N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 113141984) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID113141984
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(c2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-4-10-18(11-5-14)21(26(3,24)25)13-12-19(23)20-17-8-6-16(7-9-17)15(2)22/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyKLYLIFJRFOSSTK-UHFFFAOYSA-N
XLogP2.99
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999
3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113145404
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636
N-(3,4-dimethoxyphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141982
N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285217
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142761
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide (CID 113141984) is N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide is CC(=O)c1ccc(NC(=O)CCN(c2ccc(C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is KLYLIFJRFOSSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-4-10-18(11-5-14)21(26(3,24)25)13-12-19(23)20-17-8-6-16(7-9-17)15(2)22/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 374.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).