N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide

C22H18FN3OS — CID 18575464

IUPACN-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C22H18FN3OS/c23-19-9-7-16(8-10-19)20-14-25-22(26-20)28-12-11-24-21(27)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13-14H,11-12H2,(H,24,27)(H,25,26)
InChIKeyNVAGITBWHTVOEY-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.89
Rot. Bonds6

About N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide

N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide (PubChem CID 18575464) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide
PubChem CID18575464
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC NameN-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C22H18FN3OS/c23-19-9-7-16(8-10-19)20-14-25-22(26-20)28-12-11-24-21(27)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13-14H,11-12H2,(H,24,27)(H,25,26)
InChIKeyNVAGITBWHTVOEY-UHFFFAOYSA-N
XLogP4.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethoxy-N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575446
3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575390
3,4,5-triethoxy-N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575448
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-3-phenylprop-2-enamide
CID 71962590
4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575399
N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
CID 18575497
N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide
CID 18575414
N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide
CID 18575488
4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 46825614
4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol
CID 166188173
N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056250
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide (CID 18575464) is N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide is O=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide?
The InChIKey is NVAGITBWHTVOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c23-19-9-7-16(8-10-19)20-14-25-22(26-20)28-12-11-24-21(27)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13-14H,11-12H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide?
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18575464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).