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

C19H20BrN3O2S — CID 55616635

IUPACN-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1ccc(CSc2nccn2C)o1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O2S/c1-3-16(13-4-6-14(20)7-5-13)22-18(24)17-9-8-15(25-17)12-26-19-21-10-11-23(19)2/h4-11,16H,3,12H2,1-2H3,(H,22,24)
InChIKeyWQGCAPPHFHNGKI-UHFFFAOYSA-N
MW434.36 g/mol
LogP4.95
Rot. Bonds7

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

N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 55616635) has the molecular formula C19H20BrN3O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID55616635
Molecular FormulaC19H20BrN3O2S
Molecular Weight434.36 g/mol
Exact Mass433.05
IUPAC NameN-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1ccc(CSc2nccn2C)o1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O2S/c1-3-16(13-4-6-14(20)7-5-13)22-18(24)17-9-8-15(25-17)12-26-19-21-10-11-23(19)2/h4-11,16H,3,12H2,1-2H3,(H,22,24)
InChIKeyWQGCAPPHFHNGKI-UHFFFAOYSA-N
XLogP4.95
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 134062990
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-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55618550
N-(3,5-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440363
N-[(2R)-2-(ethylamino)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 120654118
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60555051
N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119589563
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055
N-(3,5-dimethoxyphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440333

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 55616635) is N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is CCC(NC(=O)c1ccc(CSc2nccn2C)o1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is WQGCAPPHFHNGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2S/c1-3-16(13-4-6-14(20)7-5-13)22-18(24)17-9-8-15(25-17)12-26-19-21-10-11-23(19)2/h4-11,16H,3,12H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 434.36 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 55616635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).