(2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide

C24H26N2O2S — CID 14243176

IUPAC(2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide
SMILESCSCC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NO
InChIInChI=1S/C24H26N2O2S/c1-29-18-17-22(23(27)26-28)25-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22,25,28H,17-18H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyLTZUIWPBIRIVDH-QFIPXVFZSA-N
MW406.55 g/mol
LogP4.20
Rot. Bonds9

About (2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide

(2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide (PubChem CID 14243176) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is (2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide
PubChem CID14243176
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name(2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide
SMILESCSCC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NO
InChIInChI=1S/C24H26N2O2S/c1-29-18-17-22(23(27)26-28)25-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22,25,28H,17-18H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyLTZUIWPBIRIVDH-QFIPXVFZSA-N
XLogP4.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide?
The IUPAC name of (2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide (CID 14243176) is (2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide.
What is the SMILES notation for (2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide?
The canonical SMILES for (2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide is CSCC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NO.
What is the InChIKey of (2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide?
The InChIKey is LTZUIWPBIRIVDH-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-29-18-17-22(23(27)26-28)25-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22,25,28H,17-18H2,1H3,(H,26,27)/t22-/m0/s1.
What are the key properties of (2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide?
(2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide has a molecular weight of 406.55 g/mol, XLogP of 4.20, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-4-methylsulfanyl-2-(tritylamino)butanamide is sourced from PubChem (CID 14243176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).