N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide

C19H17FN4O2S — CID 27736272

IUPACN-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C19H17FN4O2S/c1-12(25)22-15-3-2-4-16(9-15)23-18(26)11-27-19-21-10-17(24-19)13-5-7-14(20)8-6-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyCTYXTLZCDKFCFG-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.90
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide

N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide (PubChem CID 27736272) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
PubChem CID27736272
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC NameN-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C19H17FN4O2S/c1-12(25)22-15-3-2-4-16(9-15)23-18(26)11-27-19-21-10-17(24-19)13-5-7-14(20)8-6-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyCTYXTLZCDKFCFG-UHFFFAOYSA-N
XLogP3.90
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27736148
N-(3-bromophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 15989788
2-[(5-pyridin-4-yl-1H-imidazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 10384977
N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 856403
N-(3-acetamidophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 859978
N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 1118769
N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 27736308
N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896857
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 860011
N-(2-fluorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1116757
N-(4-methylsulfonylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35040321

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide (CID 27736272) is N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide is CC(=O)Nc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The InChIKey is CTYXTLZCDKFCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-12(25)22-15-3-2-4-16(9-15)23-18(26)11-27-19-21-10-17(24-19)13-5-7-14(20)8-6-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27736272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).