(2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide

C16H25NO3S — CID 11404158

IUPAC(2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H25NO3S/c1-11(2)10-14-6-8-15(9-7-14)13(5)16(18)17-21(19,20)12(3)4/h6-9,11-13H,10H2,1-5H3,(H,17,18)/t13-/m1/s1
InChIKeyVYEIFWMBUZTIJM-CYBMUJFWSA-N
MW311.45 g/mol
LogP2.84
Rot. Bonds6

About (2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide

(2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide (PubChem CID 11404158) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is (2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide
PubChem CID11404158
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name(2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H25NO3S/c1-11(2)10-14-6-8-15(9-7-14)13(5)16(18)17-21(19,20)12(3)4/h6-9,11-13H,10H2,1-5H3,(H,17,18)/t13-/m1/s1
InChIKeyVYEIFWMBUZTIJM-CYBMUJFWSA-N
XLogP2.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide (CID 11404158) is (2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide is CC(C)Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)C(C)C)cc1.
What is the InChIKey of (2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide?
The InChIKey is VYEIFWMBUZTIJM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11(2)10-14-6-8-15(9-7-14)13(5)16(18)17-21(19,20)12(3)4/h6-9,11-13H,10H2,1-5H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide?
(2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide has a molecular weight of 311.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 11404158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).