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

C21H21N3O3S2 — CID 66485255

IUPACN-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC1CCCS1(=O)=O
InChIInChI=1S/C21H21N3O3S2/c25-17(22-18-12-7-13-29(18,26)27)14-28-21-23-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-6,8-11,18H,7,12-14H2,(H,22,25)(H,23,24)
InChIKeyVLZNVUGJFREZGM-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.49
Rot. Bonds6

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

N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 66485255) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID66485255
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC1CCCS1(=O)=O
InChIInChI=1S/C21H21N3O3S2/c25-17(22-18-12-7-13-29(18,26)27)14-28-21-23-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-6,8-11,18H,7,12-14H2,(H,22,25)(H,23,24)
InChIKeyVLZNVUGJFREZGM-UHFFFAOYSA-N
XLogP3.49
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 41153324
N-carbamoyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2680510
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 1286376
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide
CID 4840323
N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 39759791
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 30052776
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 39757430
methyl 1-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 4858694
2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid
CID 11740568
N-(1,1-dioxothiolan-2-yl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 66485261
methyl 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 39922393
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 17391649

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 66485255) is N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC1CCCS1(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is VLZNVUGJFREZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c25-17(22-18-12-7-13-29(18,26)27)14-28-21-23-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-6,8-11,18H,7,12-14H2,(H,22,25)(H,23,24).
What are the key properties of N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 66485255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).