N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide

C24H20Cl2N2O3S — CID 43837104

IUPACN-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3nc(C)c(Cc4cc(Cl)ccc4Cl)s3)o2)cc1
InChIInChI=1S/C24H20Cl2N2O3S/c1-14-3-6-18(7-4-14)30-13-19-8-10-21(31-19)23(29)28-24-27-15(2)22(32-24)12-16-11-17(25)5-9-20(16)26/h3-11H,12-13H2,1-2H3,(H,27,28,29)
InChIKeyHVDPMMSWXJZLJX-UHFFFAOYSA-N
MW487.41 g/mol
LogP7.08
Rot. Bonds7

About N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide

N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 43837104) has the molecular formula C24H20Cl2N2O3S and a molecular weight of 487.41 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID43837104
Molecular FormulaC24H20Cl2N2O3S
Molecular Weight487.41 g/mol
Exact Mass486.06
IUPAC NameN-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3nc(C)c(Cc4cc(Cl)ccc4Cl)s3)o2)cc1
InChIInChI=1S/C24H20Cl2N2O3S/c1-14-3-6-18(7-4-14)30-13-19-8-10-21(31-19)23(29)28-24-27-15(2)22(32-24)12-16-11-17(25)5-9-20(16)26/h3-11H,12-13H2,1-2H3,(H,27,28,29)
InChIKeyHVDPMMSWXJZLJX-UHFFFAOYSA-N
XLogP7.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.41
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 19415409
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 43837087
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19465525
N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415531
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284570
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875
5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide
CID 3549006
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337889

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide (CID 43837104) is N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3nc(C)c(Cc4cc(Cl)ccc4Cl)s3)o2)cc1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is HVDPMMSWXJZLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O3S/c1-14-3-6-18(7-4-14)30-13-19-8-10-21(31-19)23(29)28-24-27-15(2)22(32-24)12-16-11-17(25)5-9-20(16)26/h3-11H,12-13H2,1-2H3,(H,27,28,29).
What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 487.41 g/mol, XLogP of 7.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 43837104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).