N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide

C19H16F2N4O2S — CID 18575497

IUPACN'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
SMILESO=C(NCCSc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H16F2N4O2S/c20-13-6-7-15(14(21)10-13)24-18(27)17(26)22-8-9-28-19-23-11-16(25-19)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyXKOTZLMAEMWGSH-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.20
Rot. Bonds6

About N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide

N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide (PubChem CID 18575497) has the molecular formula C19H16F2N4O2S and a molecular weight of 402.43 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
PubChem CID18575497
Molecular FormulaC19H16F2N4O2S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC NameN'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
SMILESO=C(NCCSc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H16F2N4O2S/c20-13-6-7-15(14(21)10-13)24-18(27)17(26)22-8-9-28-19-23-11-16(25-19)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyXKOTZLMAEMWGSH-UHFFFAOYSA-N
XLogP3.20
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(1,3-benzodioxol-5-yl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
CID 7184740
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-3-phenylprop-2-enamide
CID 71962590
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide
CID 18575464
N-(2-fluorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1116757
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
5-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]pentan-2-one
CID 47163722
3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575390
N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide
CID 18575488
3,4,5-triethoxy-N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575448
3,4-diethoxy-N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575446
1-(2,4-difluorophenyl)-3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]urea
CID 10345554
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27736148

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide (CID 18575497) is N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide is O=C(NCCSc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide?
The InChIKey is XKOTZLMAEMWGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2S/c20-13-6-7-15(14(21)10-13)24-18(27)17(26)22-8-9-28-19-23-11-16(25-19)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide?
N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide has a molecular weight of 402.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide is sourced from PubChem (CID 18575497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).