2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide

C22H20N2OS — CID 23987823

IUPAC2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide
SMILESCc1[nH]c2ccccc2c1CSCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H20N2OS/c1-15-19(18-10-4-5-11-21(18)23-15)13-26-14-22(25)24-20-12-6-8-16-7-2-3-9-17(16)20/h2-12,23H,13-14H2,1H3,(H,24,25)
InChIKeyHKJNCPJILFNVOJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.50
Rot. Bonds5

About 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide

2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 23987823) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID23987823
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide
SMILESCc1[nH]c2ccccc2c1CSCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H20N2OS/c1-15-19(18-10-4-5-11-21(18)23-15)13-26-14-22(25)24-20-12-6-8-16-7-2-3-9-17(16)20/h2-12,23H,13-14H2,1H3,(H,24,25)
InChIKeyHKJNCPJILFNVOJ-UHFFFAOYSA-N
XLogP5.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide
CID 9457130
N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9423860
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38338434
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9422642
2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60555655
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
3-methylsulfonyl-N-naphthalen-1-ylpropanamide
CID 127504646
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 7183983
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide
CID 46346316

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide (CID 23987823) is 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide is Cc1[nH]c2ccccc2c1CSCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is HKJNCPJILFNVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-15-19(18-10-4-5-11-21(18)23-15)13-26-14-22(25)24-20-12-6-8-16-7-2-3-9-17(16)20/h2-12,23H,13-14H2,1H3,(H,24,25).
What are the key properties of 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide?
2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 360.48 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 23987823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).