N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide

C18H21NO3S — CID 3425064

IUPACN-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3S/c1-3-15-6-4-5-7-17(15)19-18(20)12-13-23(21,22)16-10-8-14(2)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyQDDBEWRUSMTJJY-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.36
Rot. Bonds6

About N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 3425064) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID3425064
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3S/c1-3-15-6-4-5-7-17(15)19-18(20)12-13-23(21,22)16-10-8-14(2)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyQDDBEWRUSMTJJY-UHFFFAOYSA-N
XLogP3.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-{[benzyl(Propyl)amino]methyl}phenyl)-2-[4-(Ethylsulfonyl)phenyl]acetamide
CID 72193937
N-(3-chloro-2-methylphenyl)-2-(phenylsulfonyl)acetamide
CID 892315
2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2897643
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 788759
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide
CID 134821990
2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide
CID 118707356
N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
N-[2-(methylthio)phenyl]-3-phenylpropanamide
CID 971362
2-Benzylsulfanyl-N-p-tolyl-propionamide
CID 2888981
2-(benzylthio)-N-(4-fluorophenyl)propanamide
CID 2899728

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 3425064) is N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is QDDBEWRUSMTJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-3-15-6-4-5-7-17(15)19-18(20)12-13-23(21,22)16-10-8-14(2)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 3425064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).