2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

C25H26N4O2S — CID 43020555

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)CSc2nc(C)cc(C)n2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H26N4O2S/c1-16-12-17(2)29-25(28-16)32-15-24(30)27-13-21(18-8-10-19(31-3)11-9-18)22-14-26-23-7-5-4-6-20(22)23/h4-12,14,21,26H,13,15H2,1-3H3,(H,27,30)
InChIKeySLUSRRSMZXAXNC-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.62
Rot. Bonds8

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 43020555) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID43020555
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)CSc2nc(C)cc(C)n2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H26N4O2S/c1-16-12-17(2)29-25(28-16)32-15-24(30)27-13-21(18-8-10-19(31-3)11-9-18)22-14-26-23-7-5-4-6-20(22)23/h4-12,14,21,26H,13,15H2,1-3H3,(H,27,30)
InChIKeySLUSRRSMZXAXNC-UHFFFAOYSA-N
XLogP4.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetamide
CID 42921072
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9290180
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 35129166
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 24600689
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 60521295
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 9006913
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 128963531

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (CID 43020555) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(CNC(=O)CSc2nc(C)cc(C)n2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is SLUSRRSMZXAXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-16-12-17(2)29-25(28-16)32-15-24(30)27-13-21(18-8-10-19(31-3)11-9-18)22-14-26-23-7-5-4-6-20(22)23/h4-12,14,21,26H,13,15H2,1-3H3,(H,27,30).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 446.58 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43020555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).