(2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide

C24H33NO3S — CID 10341806

IUPAC(2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide
SMILESCC(C)C[C@H](CCS(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C=O)CC(C)C
InChIInChI=1S/C24H33NO3S/c1-17(2)13-21(24(27)25-22(16-26)14-18(3)4)11-12-29(28)23-10-9-19-7-5-6-8-20(19)15-23/h5-10,15-18,21-22H,11-14H2,1-4H3,(H,25,27)/t21-,22-,29?/m0/s1
InChIKeyHBIOASKCQSACJZ-SIPOYVIUSA-N
MW415.60 g/mol
LogP4.73
Rot. Bonds11

About (2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide

(2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide (PubChem CID 10341806) has the molecular formula C24H33NO3S and a molecular weight of 415.60 g/mol. Its IUPAC name is (2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide
PubChem CID10341806
Molecular FormulaC24H33NO3S
Molecular Weight415.60 g/mol
Exact Mass415.22
IUPAC Name(2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide
SMILESCC(C)C[C@H](CCS(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C=O)CC(C)C
InChIInChI=1S/C24H33NO3S/c1-17(2)13-21(24(27)25-22(16-26)14-18(3)4)11-12-29(28)23-10-9-19-7-5-6-8-20(19)15-23/h5-10,15-18,21-22H,11-14H2,1-4H3,(H,25,27)/t21-,22-,29?/m0/s1
InChIKeyHBIOASKCQSACJZ-SIPOYVIUSA-N
XLogP4.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide?
The IUPAC name of (2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide (CID 10341806) is (2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide.
What is the SMILES notation for (2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide?
The canonical SMILES for (2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide is CC(C)C[C@H](CCS(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C=O)CC(C)C.
What is the InChIKey of (2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide?
The InChIKey is HBIOASKCQSACJZ-SIPOYVIUSA-N. The full InChI is InChI=1S/C24H33NO3S/c1-17(2)13-21(24(27)25-22(16-26)14-18(3)4)11-12-29(28)23-10-9-19-7-5-6-8-20(19)15-23/h5-10,15-18,21-22H,11-14H2,1-4H3,(H,25,27)/t21-,22-,29?/m0/s1.
What are the key properties of (2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide?
(2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide has a molecular weight of 415.60 g/mol, XLogP of 4.73, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-naphthalen-2-ylsulfinylethyl)pentanamide is sourced from PubChem (CID 10341806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).