N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide

C19H20N2OS — CID 2153522

IUPACN-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2c(C)[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C19H20N2OS/c1-12-8-9-16(13(2)10-12)21-18(22)11-23-19-14(3)20-17-7-5-4-6-15(17)19/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyXJOQZSLYQRHLHB-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.82
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide

N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide (PubChem CID 2153522) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide
PubChem CID2153522
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2c(C)[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C19H20N2OS/c1-12-8-9-16(13(2)10-12)21-18(22)11-23-19-14(3)20-17-7-5-4-6-15(17)19/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyXJOQZSLYQRHLHB-UHFFFAOYSA-N
XLogP4.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide (CID 2153522) is N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2c(C)[nH]c3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide?
The InChIKey is XJOQZSLYQRHLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-12-8-9-16(13(2)10-12)21-18(22)11-23-19-14(3)20-17-7-5-4-6-15(17)19/h4-10,20H,11H2,1-3H3,(H,21,22).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide?
N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide has a molecular weight of 324.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2153522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).