N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide

C18H18N2OS — CID 164626388

IUPACN-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2OS/c1-20(12-14-7-3-2-4-8-14)18(21)13-22-17-11-19-16-10-6-5-9-15(16)17/h2-11,19H,12-13H2,1H3
InChIKeyTUCOTTOSWOLVMJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.92
Rot. Bonds5

About N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide

N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide (PubChem CID 164626388) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide
PubChem CID164626388
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC NameN-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2OS/c1-20(12-14-7-3-2-4-8-14)18(21)13-22-17-11-19-16-10-6-5-9-15(16)17/h2-11,19H,12-13H2,1H3
InChIKeyTUCOTTOSWOLVMJ-UHFFFAOYSA-N
XLogP3.92
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide (CID 164626388) is N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide is CN(Cc1ccccc1)C(=O)CSc1c[nH]c2ccccc12.
What is the InChIKey of N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide?
The InChIKey is TUCOTTOSWOLVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-20(12-14-7-3-2-4-8-14)18(21)13-22-17-11-19-16-10-6-5-9-15(16)17/h2-11,19H,12-13H2,1H3.
What are the key properties of N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide?
N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide has a molecular weight of 310.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1H-indol-3-ylsulfanyl)-N-methylacetamide is sourced from PubChem (CID 164626388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).