5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

C22H22ClNO6S — CID 4104667

IUPAC5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C22H22ClNO6S/c1-28-19-9-3-15(13-21(19)29-2)11-12-24-22(25)20-10-6-17(30-20)14-31(26,27)18-7-4-16(23)5-8-18/h3-10,13H,11-12,14H2,1-2H3,(H,24,25)
InChIKeyGLNRNACDTZIGHH-UHFFFAOYSA-N
MW463.94 g/mol
LogP3.90
Rot. Bonds9

About 5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 4104667) has the molecular formula C22H22ClNO6S and a molecular weight of 463.94 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID4104667
Molecular FormulaC22H22ClNO6S
Molecular Weight463.94 g/mol
Exact Mass463.09
IUPAC Name5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C22H22ClNO6S/c1-28-19-9-3-15(13-21(19)29-2)11-12-24-22(25)20-10-6-17(30-20)14-31(26,27)18-7-4-16(23)5-8-18/h3-10,13H,11-12,14H2,1-2H3,(H,24,25)
InChIKeyGLNRNACDTZIGHH-UHFFFAOYSA-N
XLogP3.90
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 5123643
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide
CID 84575585
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414041
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3252059
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 18891430
5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4084510
5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 24524461
5-(2-chloro-4-nitrophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 1424128
N-[2-(3,4-diethoxyphenyl)ethyl]-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 20859736
5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 46857856

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide (CID 4104667) is 5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is GLNRNACDTZIGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO6S/c1-28-19-9-3-15(13-21(19)29-2)11-12-24-22(25)20-10-6-17(30-20)14-31(26,27)18-7-4-16(23)5-8-18/h3-10,13H,11-12,14H2,1-2H3,(H,24,25).
What are the key properties of 5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 4104667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).