N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide

C21H20ClNO4S — CID 20859683

IUPACN-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccccc2Cl)o1
InChIInChI=1S/C21H20ClNO4S/c1-2-15-7-4-6-10-20(15)28(25,26)14-17-11-12-19(27-17)21(24)23-13-16-8-3-5-9-18(16)22/h3-12H,2,13-14H2,1H3,(H,23,24)
InChIKeySLXMKZZBYXTCDS-UHFFFAOYSA-N
MW417.91 g/mol
LogP4.40
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide

N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 20859683) has the molecular formula C21H20ClNO4S and a molecular weight of 417.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID20859683
Molecular FormulaC21H20ClNO4S
Molecular Weight417.91 g/mol
Exact Mass417.08
IUPAC NameN-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccccc2Cl)o1
InChIInChI=1S/C21H20ClNO4S/c1-2-15-7-4-6-10-20(15)28(25,26)14-17-11-12-19(27-17)21(24)23-13-16-8-3-5-9-18(16)22/h3-12H,2,13-14H2,1H3,(H,23,24)
InChIKeySLXMKZZBYXTCDS-UHFFFAOYSA-N
XLogP4.40
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4661810
5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 46857856
N-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 3242702
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
N-[(2-chlorophenyl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 39854547
N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5068893
5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 5307454
N-[(2-chlorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047293
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5307755
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588
5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 5309150
N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5054167

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide (CID 20859683) is N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide is CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccccc2Cl)o1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is SLXMKZZBYXTCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4S/c1-2-15-7-4-6-10-20(15)28(25,26)14-17-11-12-19(27-17)21(24)23-13-16-8-3-5-9-18(16)22/h3-12H,2,13-14H2,1H3,(H,23,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 417.91 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20859683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).