N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

C20H25NO3S — CID 5068932

IUPACN-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CCNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO3S/c1-16-3-7-18(8-4-16)11-13-21-20(22)12-14-25(23,24)15-19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3,(H,21,22)
InChIKeyAIFRETWAWCTKHW-UHFFFAOYSA-N
MW359.49 g/mol
LogP2.97
Rot. Bonds8

About N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (PubChem CID 5068932) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
PubChem CID5068932
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CCNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO3S/c1-16-3-7-18(8-4-16)11-13-21-20(22)12-14-25(23,24)15-19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3,(H,21,22)
InChIKeyAIFRETWAWCTKHW-UHFFFAOYSA-N
XLogP2.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (CID 5068932) is N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is Cc1ccc(CCNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is AIFRETWAWCTKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-16-3-7-18(8-4-16)11-13-21-20(22)12-14-25(23,24)15-19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 359.49 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 5068932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).