N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide

C19H15Cl2NO3S — CID 22554587

IUPACN-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(CS(=O)c2ccccc2Cl)o1
InChIInChI=1S/C19H15Cl2NO3S/c20-14-7-5-13(6-8-14)11-22-19(23)17-10-9-15(25-17)12-26(24)18-4-2-1-3-16(18)21/h1-10H,11-12H2,(H,22,23)
InChIKeyZYMTULXUAKFXKY-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.82
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 22554587) has the molecular formula C19H15Cl2NO3S and a molecular weight of 408.31 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID22554587
Molecular FormulaC19H15Cl2NO3S
Molecular Weight408.31 g/mol
Exact Mass407.01
IUPAC NameN-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(CS(=O)c2ccccc2Cl)o1
InChIInChI=1S/C19H15Cl2NO3S/c20-14-7-5-13(6-8-14)11-22-19(23)17-10-9-15(25-17)12-26(24)18-4-2-1-3-16(18)21/h1-10H,11-12H2,(H,22,23)
InChIKeyZYMTULXUAKFXKY-UHFFFAOYSA-N
XLogP4.82
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 46371008
5-[[(S)-(2-chlorophenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 92730218
5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 22554607
5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 20859472
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 22554499
5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 92687538
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 22554522
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498
N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5054167
N-[2-(4-chlorophenyl)ethyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554411
5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 20899478
N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 24897438

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide (CID 22554587) is N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(CS(=O)c2ccccc2Cl)o1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is ZYMTULXUAKFXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3S/c20-14-7-5-13(6-8-14)11-22-19(23)17-10-9-15(25-17)12-26(24)18-4-2-1-3-16(18)21/h1-10H,11-12H2,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 408.31 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 22554587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).