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

C20H18ClNO4S — CID 22554498

IUPAC5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(CS(=O)c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C20H18ClNO4S/c1-25-16-6-2-4-14(10-16)12-22-20(23)19-9-8-17(26-19)13-27(24)18-7-3-5-15(21)11-18/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyXYDGTXBCDVOAPI-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.18
Rot. Bonds7

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

5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 22554498) has the molecular formula C20H18ClNO4S and a molecular weight of 403.89 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID22554498
Molecular FormulaC20H18ClNO4S
Molecular Weight403.89 g/mol
Exact Mass403.06
IUPAC Name5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(CS(=O)c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C20H18ClNO4S/c1-25-16-6-2-4-14(10-16)12-22-20(23)19-9-8-17(26-19)13-27(24)18-7-3-5-15(21)11-18/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyXYDGTXBCDVOAPI-UHFFFAOYSA-N
XLogP4.18
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 22554522
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 22554499
N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554770
N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899333
5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 22554674
5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 20899478
5-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 92687419
N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554736
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
N-[2-(4-chlorophenyl)ethyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554411
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
N-[(3-methoxyphenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024409

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide (CID 22554498) is 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide is COc1cccc(CNC(=O)c2ccc(CS(=O)c3cccc(Cl)c3)o2)c1.
What is the InChIKey of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is XYDGTXBCDVOAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4S/c1-25-16-6-2-4-14(10-16)12-22-20(23)19-9-8-17(26-19)13-27(24)18-7-3-5-15(21)11-18/h2-11H,12-13H2,1H3,(H,22,23).
What are the key properties of 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 22554498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).