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

C20H18BrNO4S — CID 22554770

IUPACN-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)cc1
InChIInChI=1S/C20H18BrNO4S/c1-25-16-5-8-18(9-6-16)27(24)13-17-7-10-19(26-17)20(23)22-12-14-3-2-4-15(21)11-14/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyROWZJENVRAGJQI-UHFFFAOYSA-N
MW448.34 g/mol
LogP4.29
Rot. Bonds7

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

N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 22554770) has the molecular formula C20H18BrNO4S and a molecular weight of 448.34 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID22554770
Molecular FormulaC20H18BrNO4S
Molecular Weight448.34 g/mol
Exact Mass447.01
IUPAC NameN-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)cc1
InChIInChI=1S/C20H18BrNO4S/c1-25-16-5-8-18(9-6-16)27(24)13-17-7-10-19(26-17)20(23)22-12-14-3-2-4-15(21)11-14/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyROWZJENVRAGJQI-UHFFFAOYSA-N
XLogP4.29
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554736
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498
N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554744
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
CID 22554763
N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899333
5-[[(S)-(4-methoxyphenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 51550617
N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859539
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 22554674
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 22554751
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 20859545
N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide (CID 22554770) is N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide is COc1ccc(S(=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is ROWZJENVRAGJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO4S/c1-25-16-5-8-18(9-6-16)27(24)13-17-7-10-19(26-17)20(23)22-12-14-3-2-4-15(21)11-14/h2-11H,12-13H2,1H3,(H,22,23).
What are the key properties of N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 448.34 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 22554770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).