5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide

C22H22ClNO4S — CID 20899478

IUPAC5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc(CS(=O)Cc3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C22H22ClNO4S/c1-2-27-19-8-6-16(7-9-19)13-24-22(25)21-11-10-20(28-21)15-29(26)14-17-4-3-5-18(23)12-17/h3-12H,2,13-15H2,1H3,(H,24,25)
InChIKeySDZRRSUDNGIUNP-UHFFFAOYSA-N
MW431.94 g/mol
LogP4.71
Rot. Bonds9

About 5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide

5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 20899478) has the molecular formula C22H22ClNO4S and a molecular weight of 431.94 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID20899478
Molecular FormulaC22H22ClNO4S
Molecular Weight431.94 g/mol
Exact Mass431.10
IUPAC Name5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc(CS(=O)Cc3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C22H22ClNO4S/c1-2-27-19-8-6-16(7-9-19)13-24-22(25)21-11-10-20(28-21)15-29(26)14-17-4-3-5-18(23)12-17/h3-12H,2,13-15H2,1H3,(H,24,25)
InChIKeySDZRRSUDNGIUNP-UHFFFAOYSA-N
XLogP4.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 92687538
N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899333
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498
5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19446192
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 22554499
5-[(4-ethoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 2166338
N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5085443
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 22554522
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one
CID 160743343
5-[(4-ethoxyphenoxy)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 19413326
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19411485

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide (CID 20899478) is 5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide is CCOc1ccc(CNC(=O)c2ccc(CS(=O)Cc3cccc(Cl)c3)o2)cc1.
What is the InChIKey of 5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is SDZRRSUDNGIUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO4S/c1-2-27-19-8-6-16(7-9-19)13-24-22(25)21-11-10-20(28-21)15-29(26)14-17-4-3-5-18(23)12-17/h3-12H,2,13-15H2,1H3,(H,24,25).
What are the key properties of 5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 431.94 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 20899478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).