N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide

C19H23NO3S — CID 78799694

IUPACN-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N(C)C(C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-9-11-18(12-10-15)24(22,23)14-13-19(21)20(3)16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3
InChIKeyADTHOEYMNWLIBV-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.38
Rot. Bonds6

About N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide

N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide (PubChem CID 78799694) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide
PubChem CID78799694
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N(C)C(C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-9-11-18(12-10-15)24(22,23)14-13-19(21)20(3)16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3
InChIKeyADTHOEYMNWLIBV-UHFFFAOYSA-N
XLogP3.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(benzenesulfonyl)propanoyl-methylamino]propanoic acid
CID 62627813
N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 18200681
N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide
CID 78782531
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)butanamide
CID 51188184
3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 9164941
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46598912
N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 45352017
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9469734
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 43022013
N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 9416979
3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51292168

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide?
The IUPAC name of N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide (CID 78799694) is N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)N(C)C(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide?
The InChIKey is ADTHOEYMNWLIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-9-11-18(12-10-15)24(22,23)14-13-19(21)20(3)16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3.
What are the key properties of N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide?
N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide has a molecular weight of 345.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 78799694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).