N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C18H13ClF3N3OS — CID 16896870

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H13ClF3N3OS/c19-13-7-6-12(18(20,21)22)8-14(13)24-16(26)10-27-17-23-9-15(25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyPXIVQLMNUBRCTP-UHFFFAOYSA-N
MW411.84 g/mol
LogP5.48
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 16896870) has the molecular formula C18H13ClF3N3OS and a molecular weight of 411.84 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID16896870
Molecular FormulaC18H13ClF3N3OS
Molecular Weight411.84 g/mol
Exact Mass411.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H13ClF3N3OS/c19-13-7-6-12(18(20,21)22)8-14(13)24-16(26)10-27-17-23-9-15(25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyPXIVQLMNUBRCTP-UHFFFAOYSA-N
XLogP5.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.84
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40604658
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N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896869
2-[(5-pyridin-4-yl-1H-imidazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 5183580
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
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N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577
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CID 6410307
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 18205272
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1451049
N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 16896870) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is PXIVQLMNUBRCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3OS/c19-13-7-6-12(18(20,21)22)8-14(13)24-16(26)10-27-17-23-9-15(25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 411.84 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 16896870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).