N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide

C18H14F3N3O2S — CID 55490455

IUPACN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide
SMILESCn1ccnc1Sc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H14F3N3O2S/c1-24-11-10-22-17(24)27-15-8-4-13(5-9-15)23-16(25)12-2-6-14(7-3-12)26-18(19,20)21/h2-11H,1H3,(H,23,25)
InChIKeyZBCGJSFLQGZLRM-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.72
Rot. Bonds5

About N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 55490455) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide
PubChem CID55490455
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC NameN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide
SMILESCn1ccnc1Sc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H14F3N3O2S/c1-24-11-10-22-17(24)27-15-8-4-13(5-9-15)23-16(25)12-2-6-14(7-3-12)26-18(19,20)21/h2-11H,1H3,(H,23,25)
InChIKeyZBCGJSFLQGZLRM-UHFFFAOYSA-N
XLogP4.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276286
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-methyl-4-[(E)-3-[4-(1-methylimidazol-2-yl)sulfanylanilino]-3-oxoprop-1-enyl]benzamide
CID 134003335
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
CID 47138421
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55507708
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55497406

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide (CID 55490455) is N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide is Cn1ccnc1Sc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is ZBCGJSFLQGZLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c1-24-11-10-22-17(24)27-15-8-4-13(5-9-15)23-16(25)12-2-6-14(7-3-12)26-18(19,20)21/h2-11H,1H3,(H,23,25).
What are the key properties of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide?
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 393.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 55490455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).