N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide

C20H18BrNO3S — CID 22554736

IUPACN-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)cc1
InChIInChI=1S/C20H18BrNO3S/c1-14-5-8-18(9-6-14)26(24)13-17-7-10-19(25-17)20(23)22-12-15-3-2-4-16(21)11-15/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyQQSMPIQWFAEBTD-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.59
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide

N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 22554736) has the molecular formula C20H18BrNO3S and a molecular weight of 432.34 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID22554736
Molecular FormulaC20H18BrNO3S
Molecular Weight432.34 g/mol
Exact Mass431.02
IUPAC NameN-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)cc1
InChIInChI=1S/C20H18BrNO3S/c1-14-5-8-18(9-6-14)26(24)13-17-7-10-19(25-17)20(23)22-12-15-3-2-4-16(21)11-15/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyQQSMPIQWFAEBTD-UHFFFAOYSA-N
XLogP4.59
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554770
N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859539
N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899333
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 20859545
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 22554522
N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide
CID 92687530
N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 24897438
N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554432
N-butyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554431
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554639
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 22554499

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide (CID 22554736) is N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide is Cc1ccc(S(=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is QQSMPIQWFAEBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3S/c1-14-5-8-18(9-6-14)26(24)13-17-7-10-19(25-17)20(23)22-12-15-3-2-4-16(21)11-15/h2-11H,12-13H2,1H3,(H,22,23).
What are the key properties of N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 432.34 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 22554736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).