N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide

C25H16Cl2N2O2S — CID 17116671

IUPACN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C25H16Cl2N2O2S/c1-14-13-15(25-29-19-7-2-3-8-22(19)32-25)9-10-18(14)28-24(30)21-12-11-20(31-21)16-5-4-6-17(26)23(16)27/h2-13H,1H3,(H,28,30)
InChIKeyLJJDSNCMCPTFEK-UHFFFAOYSA-N
MW479.39 g/mol
LogP8.09
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide (PubChem CID 17116671) has the molecular formula C25H16Cl2N2O2S and a molecular weight of 479.39 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
PubChem CID17116671
Molecular FormulaC25H16Cl2N2O2S
Molecular Weight479.39 g/mol
Exact Mass478.03
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C25H16Cl2N2O2S/c1-14-13-15(25-29-19-7-2-3-8-22(19)32-25)9-10-18(14)28-24(30)21-12-11-20(31-21)16-5-4-6-17(26)23(16)27/h2-13H,1H3,(H,28,30)
InChIKeyLJJDSNCMCPTFEK-UHFFFAOYSA-N
XLogP8.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 17114771
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 2911609
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-methylbenzamide
CID 17132014
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
CID 17116673
N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide
CID 46364001
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4279841
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,6-dimethoxybenzamide
CID 46502802
5-(2,3-dichlorophenyl)-N-[[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 4618528
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 17114714
5-(1,3-benzothiazol-2-yl)-N-(3-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9090076

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide (CID 17116671) is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide is Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The InChIKey is LJJDSNCMCPTFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2O2S/c1-14-13-15(25-29-19-7-2-3-8-22(19)32-25)9-10-18(14)28-24(30)21-12-11-20(31-21)16-5-4-6-17(26)23(16)27/h2-13H,1H3,(H,28,30).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide has a molecular weight of 479.39 g/mol, XLogP of 8.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17116671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).