N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide

C17H24N2O3S — CID 124846597

IUPACN-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide
SMILESCOc1cccc2c1ccn2CCC(=O)N[C@@H](CO)CCSC
InChIInChI=1S/C17H24N2O3S/c1-22-16-5-3-4-15-14(16)6-9-19(15)10-7-17(21)18-13(12-20)8-11-23-2/h3-6,9,13,20H,7-8,10-12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyJAKAVBZCWBHXQC-CYBMUJFWSA-N
MW336.46 g/mol
LogP2.27
Rot. Bonds9

About N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide

N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide (PubChem CID 124846597) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide
PubChem CID124846597
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide
SMILESCOc1cccc2c1ccn2CCC(=O)N[C@@H](CO)CCSC
InChIInChI=1S/C17H24N2O3S/c1-22-16-5-3-4-15-14(16)6-9-19(15)10-7-17(21)18-13(12-20)8-11-23-2/h3-6,9,13,20H,7-8,10-12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyJAKAVBZCWBHXQC-CYBMUJFWSA-N
XLogP2.27
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide?
The IUPAC name of N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide (CID 124846597) is N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide is COc1cccc2c1ccn2CCC(=O)N[C@@H](CO)CCSC.
What is the InChIKey of N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide?
The InChIKey is JAKAVBZCWBHXQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-22-16-5-3-4-15-14(16)6-9-19(15)10-7-17(21)18-13(12-20)8-11-23-2/h3-6,9,13,20H,7-8,10-12H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide?
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide has a molecular weight of 336.46 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide is sourced from PubChem (CID 124846597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).