3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide

C19H23NO3S — CID 110784514

IUPAC3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
SMILESCCc1ccc(CCC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-3-15-4-6-16(7-5-15)10-13-19(21)20-14-17-8-11-18(12-9-17)24(2,22)23/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,20,21)
InChIKeyKNXOQWWUKIBEED-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.90
Rot. Bonds7

About 3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide

3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide (PubChem CID 110784514) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
PubChem CID110784514
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
SMILESCCc1ccc(CCC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-3-15-4-6-16(7-5-15)10-13-19(21)20-14-17-8-11-18(12-9-17)24(2,22)23/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,20,21)
InChIKeyKNXOQWWUKIBEED-UHFFFAOYSA-N
XLogP2.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513
N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 60511799
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
1-ethyl-4-methylsulfonylbenzene
CID 143759723
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
4-[(butanoylamino)methyl]benzenesulfonyl chloride
CID 24688623
3-amino-3-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 64679667
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide (CID 110784514) is 3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide is CCc1ccc(CCC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The InChIKey is KNXOQWWUKIBEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-15-4-6-16(7-5-15)10-13-19(21)20-14-17-8-11-18(12-9-17)24(2,22)23/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide?
3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide has a molecular weight of 345.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 110784514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).