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

C25H23N3O3S — CID 2478928

IUPACN-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC
InChIInChI=1S/C25H23N3O3S/c1-30-20-14-13-19(15-21(20)31-2)26-22(29)16-32-25-27-23(17-9-5-3-6-10-17)24(28-25)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyUIOFFFGGPCFPKI-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.49
Rot. Bonds8

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

N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 2478928) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID2478928
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC
InChIInChI=1S/C25H23N3O3S/c1-30-20-14-13-19(15-21(20)31-2)26-22(29)16-32-25-27-23(17-9-5-3-6-10-17)24(28-25)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyUIOFFFGGPCFPKI-UHFFFAOYSA-N
XLogP5.49
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 1286376
N-(3,4-dimethoxyphenyl)-2-[[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
CID 20852122
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 14546167
methyl 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 39922393
N-carbamoyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2680510
N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 39759791
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 39757430
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 23861360
methyl 2-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135780502
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
N-[4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 11796749
N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 17138635

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 2478928) is N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is UIOFFFGGPCFPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-30-20-14-13-19(15-21(20)31-2)26-22(29)16-32-25-27-23(17-9-5-3-6-10-17)24(28-25)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2478928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).