2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide

C14H21NO3S — CID 6433115

IUPAC2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyKQDRVXQXKZXMHP-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.06
Rot. Bonds5

About 2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide

2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide (PubChem CID 6433115) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide
PubChem CID6433115
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyKQDRVXQXKZXMHP-UHFFFAOYSA-N
XLogP2.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide (CID 6433115) is 2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide is CC(C)Cc1ccc(C(C)C(=O)NS(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide?
The InChIKey is KQDRVXQXKZXMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide?
2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide has a molecular weight of 283.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide is sourced from PubChem (CID 6433115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).