N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide

C18H21NO3S — CID 759001

IUPACN-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NO3S/c1-13-4-7-16(8-5-13)23(21,22)11-10-18(20)19-17-9-6-14(2)12-15(17)3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyDFNNSMBNDKJOBZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.41
Rot. Bonds5

About N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 759001) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID759001
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NO3S/c1-13-4-7-16(8-5-13)23(21,22)11-10-18(20)19-17-9-6-14(2)12-15(17)3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyDFNNSMBNDKJOBZ-UHFFFAOYSA-N
XLogP3.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 759001) is N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is DFNNSMBNDKJOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13-4-7-16(8-5-13)23(21,22)11-10-18(20)19-17-9-6-14(2)12-15(17)3/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 759001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).