N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide

C19H15BrFNO3S — CID 92687530

IUPACN-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1Br)c1ccc(C[S@@](=O)c2ccc(F)cc2)o1
InChIInChI=1S/C19H15BrFNO3S/c20-17-4-2-1-3-13(17)11-22-19(23)18-10-7-15(25-18)12-26(24)16-8-5-14(21)6-9-16/h1-10H,11-12H2,(H,22,23)/t26-/m1/s1
InChIKeyHCAZEBXHVSMXET-AREMUKBSSA-N
MW436.30 g/mol
LogP4.42
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide

N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide (PubChem CID 92687530) has the molecular formula C19H15BrFNO3S and a molecular weight of 436.30 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide
PubChem CID92687530
Molecular FormulaC19H15BrFNO3S
Molecular Weight436.30 g/mol
Exact Mass434.99
IUPAC NameN-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1Br)c1ccc(C[S@@](=O)c2ccc(F)cc2)o1
InChIInChI=1S/C19H15BrFNO3S/c20-17-4-2-1-3-13(17)11-22-19(23)18-10-7-15(25-18)12-26(24)16-8-5-14(21)6-9-16/h1-10H,11-12H2,(H,22,23)/t26-/m1/s1
InChIKeyHCAZEBXHVSMXET-AREMUKBSSA-N
XLogP4.42
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 22554499
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-fluorophenyl)sulfinylmethyl]furan-2-carboxamide
CID 20899287
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 20859545
N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554736
N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859539
5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 20899284
N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554770
N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61413770
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554639
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 22554522
N-[(2-bromophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146681
5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 20859472

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide (CID 92687530) is N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide is O=C(NCc1ccccc1Br)c1ccc(C[S@@](=O)c2ccc(F)cc2)o1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide?
The InChIKey is HCAZEBXHVSMXET-AREMUKBSSA-N. The full InChI is InChI=1S/C19H15BrFNO3S/c20-17-4-2-1-3-13(17)11-22-19(23)18-10-7-15(25-18)12-26(24)16-8-5-14(21)6-9-16/h1-10H,11-12H2,(H,22,23)/t26-/m1/s1.
What are the key properties of N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide?
N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide has a molecular weight of 436.30 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 92687530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).