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

C17H19NO3S — CID 3425070

IUPACN-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-13-7-9-15(10-8-13)22(20,21)12-11-17(19)18-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyVCOHBAFDDZYAKK-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.11
Rot. Bonds5

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

N-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 3425070) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID3425070
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-13-7-9-15(10-8-13)22(20,21)12-11-17(19)18-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyVCOHBAFDDZYAKK-UHFFFAOYSA-N
XLogP3.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
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N-(3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
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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-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 3425070) is N-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of N-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is VCOHBAFDDZYAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-7-9-15(10-8-13)22(20,21)12-11-17(19)18-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 317.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 3425070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).