N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide

C17H16N2OS — CID 5328589

IUPACN-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide
SMILESO=C(CC1C(=S)Nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H16N2OS/c20-16(18-11-12-6-2-1-3-7-12)10-14-13-8-4-5-9-15(13)19-17(14)21/h1-9,14H,10-11H2,(H,18,20)(H,19,21)
InChIKeyAZIKYQWSIXOHGI-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.23
Rot. Bonds4

About N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide

N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide (PubChem CID 5328589) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide
PubChem CID5328589
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC NameN-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide
SMILESO=C(CC1C(=S)Nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H16N2OS/c20-16(18-11-12-6-2-1-3-7-12)10-14-13-8-4-5-9-15(13)19-17(14)21/h1-9,14H,10-11H2,(H,18,20)(H,19,21)
InChIKeyAZIKYQWSIXOHGI-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide (CID 5328589) is N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide is O=C(CC1C(=S)Nc2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is AZIKYQWSIXOHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-16(18-11-12-6-2-1-3-7-12)10-14-13-8-4-5-9-15(13)19-17(14)21/h1-9,14H,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide?
N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 5328589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).