5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide

C20H18BrNO3S — CID 20859545

IUPAC5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(CS(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C20H18BrNO3S/c21-16-6-9-18(10-7-16)26(24)14-17-8-11-19(25-17)20(23)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,23)
InChIKeyRPOMCJOHOJAPSW-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.32
Rot. Bonds7

About 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide

5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide (PubChem CID 20859545) has the molecular formula C20H18BrNO3S and a molecular weight of 432.34 g/mol. Its IUPAC name is 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
PubChem CID20859545
Molecular FormulaC20H18BrNO3S
Molecular Weight432.34 g/mol
Exact Mass431.02
IUPAC Name5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(CS(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C20H18BrNO3S/c21-16-6-9-18(10-7-16)26(24)14-17-8-11-19(25-17)20(23)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,23)
InChIKeyRPOMCJOHOJAPSW-UHFFFAOYSA-N
XLogP4.32
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 20859472
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554639
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 45106543
N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554736
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-fluorophenyl)sulfinylmethyl]furan-2-carboxamide
CID 20899287
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
CID 22554763
N-[2-(4-chlorophenyl)ethyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554411
N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide
CID 92687530
N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554770
N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554744
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide (CID 20859545) is 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide is O=C(NCCc1ccccc1)c1ccc(CS(=O)c2ccc(Br)cc2)o1.
What is the InChIKey of 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The InChIKey is RPOMCJOHOJAPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3S/c21-16-6-9-18(10-7-16)26(24)14-17-8-11-19(25-17)20(23)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,23).
What are the key properties of 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide?
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide has a molecular weight of 432.34 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 20859545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).