N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide

C20H21N3O3S — CID 71788713

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NCC(O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H21N3O3S/c1-23-12-14(13-7-3-5-9-16(13)23)17(24)11-21-19(25)20(26)22-15-8-4-6-10-18(15)27-2/h3-10,12,17,24H,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyXWWWEUYHIMRLID-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.69
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide (PubChem CID 71788713) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide
PubChem CID71788713
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NCC(O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H21N3O3S/c1-23-12-14(13-7-3-5-9-16(13)23)17(24)11-21-19(25)20(26)22-15-8-4-6-10-18(15)27-2/h3-10,12,17,24H,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyXWWWEUYHIMRLID-UHFFFAOYSA-N
XLogP2.69
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide (CID 71788713) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide is CSc1ccccc1NC(=O)C(=O)NCC(O)c1cn(C)c2ccccc12.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The InChIKey is XWWWEUYHIMRLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-23-12-14(13-7-3-5-9-16(13)23)17(24)11-21-19(25)20(26)22-15-8-4-6-10-18(15)27-2/h3-10,12,17,24H,11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide has a molecular weight of 383.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 71788713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).