N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C27H27N3OS — CID 39759791

IUPACN-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C27H27N3OS/c1-3-19-16-11-17-20(4-2)24(19)28-23(31)18-32-27-29-25(21-12-7-5-8-13-21)26(30-27)22-14-9-6-10-15-22/h5-17H,3-4,18H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyCWAPDICIUNHNKE-UHFFFAOYSA-N
MW441.60 g/mol
LogP6.60
Rot. Bonds8

About N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 39759791) has the molecular formula C27H27N3OS and a molecular weight of 441.60 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID39759791
Molecular FormulaC27H27N3OS
Molecular Weight441.60 g/mol
Exact Mass441.19
IUPAC NameN-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C27H27N3OS/c1-3-19-16-11-17-20(4-2)24(19)28-23(31)18-32-27-29-25(21-12-7-5-8-13-21)26(30-27)22-14-9-6-10-15-22/h5-17H,3-4,18H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyCWAPDICIUNHNKE-UHFFFAOYSA-N
XLogP6.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 1286376
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 4780048
N-carbamoyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2680510
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 39757430
methyl 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 39922393
N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2478928
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 17391649
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 30052776
N-(2,6-diethylphenyl)-2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 40861217
N-[4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 11796749
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
CID 39759836
2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid
CID 11740568

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 39759791) is N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is CCc1cccc(CC)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is CWAPDICIUNHNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3OS/c1-3-19-16-11-17-20(4-2)24(19)28-23(31)18-32-27-29-25(21-12-7-5-8-13-21)26(30-27)22-14-9-6-10-15-22/h5-17H,3-4,18H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 441.60 g/mol, XLogP of 6.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 39759791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).