2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C22H26N2OS — CID 4185632

IUPAC2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCn1cc(SCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21
InChIInChI=1S/C22H26N2OS/c1-5-10-24-13-20(18-8-6-7-9-19(18)24)26-14-21(25)23-22-16(3)11-15(2)12-17(22)4/h6-9,11-13H,5,10,14H2,1-4H3,(H,23,25)
InChIKeyXCPIQJKOGJSPCS-UHFFFAOYSA-N
MW366.53 g/mol
LogP5.71
Rot. Bonds6

About 2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 4185632) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID4185632
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCn1cc(SCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21
InChIInChI=1S/C22H26N2OS/c1-5-10-24-13-20(18-8-6-7-9-19(18)24)26-14-21(25)23-22-16(3)11-15(2)12-17(22)4/h6-9,11-13H,5,10,14H2,1-4H3,(H,23,25)
InChIKeyXCPIQJKOGJSPCS-UHFFFAOYSA-N
XLogP5.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 4319508
N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylbenzoic acid
CID 4907237
2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4294472
N-[2-[3-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4161093
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
N-(2,4-dimethylphenyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 3624347
N-[2-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-fluorobenzamide
CID 4557497
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 5065229
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4126627
N-[2-[3-(2-anilino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethylbenzamide
CID 4199283
N-[2-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide
CID 5066288

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 4185632) is 2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is CCCn1cc(SCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21.
What is the InChIKey of 2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is XCPIQJKOGJSPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-5-10-24-13-20(18-8-6-7-9-19(18)24)26-14-21(25)23-22-16(3)11-15(2)12-17(22)4/h6-9,11-13H,5,10,14H2,1-4H3,(H,23,25).
What are the key properties of 2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 366.53 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 4185632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).