N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C24H19N3O3S — CID 2478444

IUPACN-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C24H19N3O3S/c28-21(25-18-11-12-19-20(13-18)30-15-29-19)14-31-24-26-22(16-7-3-1-4-8-16)23(27-24)17-9-5-2-6-10-17/h1-13H,14-15H2,(H,25,28)(H,26,27)
InChIKeyNUFTXTCIBPSPJF-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.20
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 2478444) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID2478444
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C24H19N3O3S/c28-21(25-18-11-12-19-20(13-18)30-15-29-19)14-31-24-26-22(16-7-3-1-4-8-16)23(27-24)17-9-5-2-6-10-17/h1-13H,14-15H2,(H,25,28)(H,26,27)
InChIKeyNUFTXTCIBPSPJF-UHFFFAOYSA-N
XLogP5.20
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 2478444) is N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is NUFTXTCIBPSPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c28-21(25-18-11-12-19-20(13-18)30-15-29-19)14-31-24-26-22(16-7-3-1-4-8-16)23(27-24)17-9-5-2-6-10-17/h1-13H,14-15H2,(H,25,28)(H,26,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 429.50 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2478444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).