N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide

C22H23NO4S — CID 20899333

IUPACN-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(CS(=O)Cc3ccc(C)cc3)o2)c1
InChIInChI=1S/C22H23NO4S/c1-16-6-8-17(9-7-16)14-28(25)15-20-10-11-21(27-20)22(24)23-13-18-4-3-5-19(12-18)26-2/h3-12H,13-15H2,1-2H3,(H,23,24)
InChIKeyVAORVEZFUMCLSY-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.98
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide

N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide (PubChem CID 20899333) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
PubChem CID20899333
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(CS(=O)Cc3ccc(C)cc3)o2)c1
InChIInChI=1S/C22H23NO4S/c1-16-6-8-17(9-7-16)14-28(25)15-20-10-11-21(27-20)22(24)23-13-18-4-3-5-19(12-18)26-2/h3-12H,13-15H2,1-2H3,(H,23,24)
InChIKeyVAORVEZFUMCLSY-UHFFFAOYSA-N
XLogP3.98
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498
N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899338
5-[(4-methylphenyl)methylsulfinylmethyl]-N-propylfuran-2-carboxamide
CID 20899328
N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554736
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 20899478
N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554770
N-[(3-methoxyphenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024409
5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 92687538
1-[[(S)-benzylsulfinyl]methyl]-3-methoxybenzene
CID 94792829
5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide
CID 42227339
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide (CID 20899333) is N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide is COc1cccc(CNC(=O)c2ccc(CS(=O)Cc3ccc(C)cc3)o2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide?
The InChIKey is VAORVEZFUMCLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-16-6-8-17(9-7-16)14-28(25)15-20-10-11-21(27-20)22(24)23-13-18-4-3-5-19(12-18)26-2/h3-12H,13-15H2,1-2H3,(H,23,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20899333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).