(2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide

C15H23NO3S — CID 11770961

IUPAC(2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCS(=O)(=O)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-5-20(18,19)16-15(17)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyUUYKVWHLFQIMRG-GFCCVEGCSA-N
MW297.42 g/mol
LogP2.45
Rot. Bonds6

About (2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide

(2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 11770961) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is (2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID11770961
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name(2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCS(=O)(=O)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-5-20(18,19)16-15(17)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyUUYKVWHLFQIMRG-GFCCVEGCSA-N
XLogP2.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide (CID 11770961) is (2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide is CCS(=O)(=O)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1.
What is the InChIKey of (2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is UUYKVWHLFQIMRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-20(18,19)16-15(17)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 297.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethylsulfonyl-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 11770961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).