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

C21H24N2O3S — CID 20776212

IUPAC(2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-15(2)12-17-8-10-20(11-9-17)16(3)21(24)23-27(25,26)14-19-6-4-18(13-22)5-7-19/h4-11,15-16H,12,14H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyPAPWGSWKRJVFPN-MRXNPFEDSA-N
MW384.50 g/mol
LogP3.51
Rot. Bonds7

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

(2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 20776212) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is (2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID20776212
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name(2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-15(2)12-17-8-10-20(11-9-17)16(3)21(24)23-27(25,26)14-19-6-4-18(13-22)5-7-19/h4-11,15-16H,12,14H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyPAPWGSWKRJVFPN-MRXNPFEDSA-N
XLogP3.51
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 20776212) is (2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1.
What is the InChIKey of (2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is PAPWGSWKRJVFPN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15(2)12-17-8-10-20(11-9-17)16(3)21(24)23-27(25,26)14-19-6-4-18(13-22)5-7-19/h4-11,15-16H,12,14H2,1-3H3,(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 384.50 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-cyanophenyl)methylsulfonyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 20776212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).