N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C16H14FN3O2S — CID 35374286

IUPACN-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)Nc2ccc(F)cc2)o1
InChIInChI=1S/C16H14FN3O2S/c1-20-9-8-18-16(20)23-10-13-6-7-14(22-13)15(21)19-12-4-2-11(17)3-5-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyTUYUDTGCXUOOIK-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.70
Rot. Bonds5

About N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 35374286) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID35374286
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)Nc2ccc(F)cc2)o1
InChIInChI=1S/C16H14FN3O2S/c1-20-9-8-18-16(20)23-10-13-6-7-14(22-13)15(21)19-12-4-2-11(17)3-5-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyTUYUDTGCXUOOIK-UHFFFAOYSA-N
XLogP3.70
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 35374286) is N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(F)cc2)o1.
What is the InChIKey of N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is TUYUDTGCXUOOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-20-9-8-18-16(20)23-10-13-6-7-14(22-13)15(21)19-12-4-2-11(17)3-5-12/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 35374286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).