N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C18H15F3N4O2S — CID 55507708

IUPACN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCn1ccnc1Sc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C18H15F3N4O2S/c1-24-9-8-22-17(24)28-14-5-3-13(4-6-14)23-15(26)11-25-10-12(18(19,20)21)2-7-16(25)27/h2-10H,11H2,1H3,(H,23,26)
InChIKeyACOITTBLAGZELA-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.39
Rot. Bonds5

About N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55507708) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55507708
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC NameN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCn1ccnc1Sc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C18H15F3N4O2S/c1-24-9-8-22-17(24)28-14-5-3-13(4-6-14)23-15(26)11-25-10-12(18(19,20)21)2-7-16(25)27/h2-10H,11H2,1H3,(H,23,26)
InChIKeyACOITTBLAGZELA-UHFFFAOYSA-N
XLogP3.39
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55507708) is N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cn1ccnc1Sc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is ACOITTBLAGZELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-24-9-8-22-17(24)28-14-5-3-13(4-6-14)23-15(26)11-25-10-12(18(19,20)21)2-7-16(25)27/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 408.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55507708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).