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

C18H19N3O2S — CID 134062990

IUPAC5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(CSc2nccn2C)o1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-13(14-6-4-3-5-7-14)20-17(22)16-9-8-15(23-16)12-24-18-19-10-11-21(18)2/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyPRCRDLHLKGWNPN-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.80
Rot. Bonds6

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

5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 134062990) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID134062990
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(CSc2nccn2C)o1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-13(14-6-4-3-5-7-14)20-17(22)16-9-8-15(23-16)12-24-18-19-10-11-21(18)2/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyPRCRDLHLKGWNPN-UHFFFAOYSA-N
XLogP3.80
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55618550
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55618183
N-(2-hydroxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888106
N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119586050
N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55616635
N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide
CID 52714765
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
N-[(2R)-2-(ethylamino)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 120654118
N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119589563
N-(3,5-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440363
N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78861985

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide (CID 134062990) is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide is CC(NC(=O)c1ccc(CSc2nccn2C)o1)c1ccccc1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is PRCRDLHLKGWNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13(14-6-4-3-5-7-14)20-17(22)16-9-8-15(23-16)12-24-18-19-10-11-21(18)2/h3-11,13H,12H2,1-2H3,(H,20,22).
What are the key properties of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide?
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 134062990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).