2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C19H16F3N3OS — CID 18102508

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1C(NC(=O)CSc1ccc(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C19H16F3N3OS/c1-25-9-8-23-19(25)18(13-4-2-3-5-14(13)20)24-17(26)11-27-12-6-7-15(21)16(22)10-12/h2-10,18H,11H2,1H3,(H,24,26)
InChIKeyVFXDUQCBUREJHF-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.84
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 18102508) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID18102508
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1C(NC(=O)CSc1ccc(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C19H16F3N3OS/c1-25-9-8-23-19(25)18(13-4-2-3-5-14(13)20)24-17(26)11-27-12-6-7-15(21)16(22)10-12/h2-10,18H,11H2,1H3,(H,24,26)
InChIKeyVFXDUQCBUREJHF-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18102488
3-(3,4-dimethylphenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 18207516
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25346268
3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 37295393
3-amino-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide;dihydrochloride
CID 119837361
2-(2-fluorophenoxy)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25352041
2-(2-chlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953992
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
2-(2,6-dichlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25325328
2-(2,6-dimethylphenoxy)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17417006
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25350533

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 18102508) is 2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1C(NC(=O)CSc1ccc(F)c(F)c1)c1ccccc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is VFXDUQCBUREJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-25-9-8-23-19(25)18(13-4-2-3-5-14(13)20)24-17(26)11-27-12-6-7-15(21)16(22)10-12/h2-10,18H,11H2,1H3,(H,24,26).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 391.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 18102508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).