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

C25H20ClNO4S — CID 19451074

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C(=O)Nc3ccccc3Sc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C25H20ClNO4S/c1-29-18-8-10-19(11-9-18)30-16-20-12-15-23(31-20)25(28)27-22-4-2-3-5-24(22)32-21-13-6-17(26)7-14-21/h2-15H,16H2,1H3,(H,27,28)
InChIKeyXZHBZJFYOGRVIO-UHFFFAOYSA-N
MW465.96 g/mol
LogP6.92
Rot. Bonds8

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

N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19451074) has the molecular formula C25H20ClNO4S and a molecular weight of 465.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID19451074
Molecular FormulaC25H20ClNO4S
Molecular Weight465.96 g/mol
Exact Mass465.08
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C(=O)Nc3ccccc3Sc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C25H20ClNO4S/c1-29-18-8-10-19(11-9-18)30-16-20-12-15-23(31-20)25(28)27-22-4-2-3-5-24(22)32-21-13-6-17(26)7-14-21/h2-15H,16H2,1H3,(H,27,28)
InChIKeyXZHBZJFYOGRVIO-UHFFFAOYSA-N
XLogP6.92
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463234
5-[(4-butan-2-ylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19450441
5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19450775
N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456610
5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19465579
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
N-[2-(difluoromethylsulfanyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43000512
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451225
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
5-[(3-chlorophenoxy)methyl]-N-(2-chlorophenyl)furan-2-carboxamide
CID 35526540
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (CID 19451074) is N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccc(OCc2ccc(C(=O)Nc3ccccc3Sc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is XZHBZJFYOGRVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO4S/c1-29-18-8-10-19(11-9-18)30-16-20-12-15-23(31-20)25(28)27-22-4-2-3-5-24(22)32-21-13-6-17(26)7-14-21/h2-15H,16H2,1H3,(H,27,28).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 465.96 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19451074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).