5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide

C20H18ClNO3S — CID 20859472

IUPAC5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(CS(=O)c2ccccc2)o1
InChIInChI=1S/C20H18ClNO3S/c21-16-8-6-15(7-9-16)12-13-22-20(23)19-11-10-17(25-19)14-26(24)18-4-2-1-3-5-18/h1-11H,12-14H2,(H,22,23)
InChIKeyMCUZAWDSRIHSNG-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.21
Rot. Bonds7

About 5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide

5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide (PubChem CID 20859472) has the molecular formula C20H18ClNO3S and a molecular weight of 387.89 g/mol. Its IUPAC name is 5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
PubChem CID20859472
Molecular FormulaC20H18ClNO3S
Molecular Weight387.89 g/mol
Exact Mass387.07
IUPAC Name5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(CS(=O)c2ccccc2)o1
InChIInChI=1S/C20H18ClNO3S/c21-16-8-6-15(7-9-16)12-13-22-20(23)19-11-10-17(25-19)14-26(24)18-4-2-1-3-5-18/h1-11H,12-14H2,(H,22,23)
InChIKeyMCUZAWDSRIHSNG-UHFFFAOYSA-N
XLogP4.21
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554411
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 20859545
N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554587
N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 5049846
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
CID 22554763
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 22554499
5-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 92687419
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-fluorophenyl)sulfinylmethyl]furan-2-carboxamide
CID 20899287
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554639
5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 22554607
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 22554522

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide (CID 20859472) is 5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(CS(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide?
The InChIKey is MCUZAWDSRIHSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3S/c21-16-8-6-15(7-9-16)12-13-22-20(23)19-11-10-17(25-19)14-26(24)18-4-2-1-3-5-18/h1-11H,12-14H2,(H,22,23).
What are the key properties of 5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide?
5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 20859472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).