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

C19H23NO3S — CID 11336912

IUPAC(2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)13-16-9-11-17(12-10-16)15(3)19(21)20-24(22,23)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyLYQACQWDMCOHCZ-OAHLLOKOSA-N
MW345.46 g/mol
LogP3.49
Rot. Bonds6

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

(2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 11336912) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID11336912
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)13-16-9-11-17(12-10-16)15(3)19(21)20-24(22,23)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyLYQACQWDMCOHCZ-OAHLLOKOSA-N
XLogP3.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 11336912) is (2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is LYQACQWDMCOHCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(2)13-16-9-11-17(12-10-16)15(3)19(21)20-24(22,23)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 345.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzenesulfonyl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 11336912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).