5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide

C19H14ClN3O2S — CID 15998905

IUPAC5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
SMILESCc1ccc2nsnc2c1NC(=O)c1ccc(-c2cccc(Cl)c2C)o1
InChIInChI=1S/C19H14ClN3O2S/c1-10-6-7-14-18(23-26-22-14)17(10)21-19(24)16-9-8-15(25-16)12-4-3-5-13(20)11(12)2/h3-9H,1-2H3,(H,21,24)
InChIKeyGIAWLAPNYSKGKC-UHFFFAOYSA-N
MW383.86 g/mol
LogP5.47
Rot. Bonds3

About 5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide

5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide (PubChem CID 15998905) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
PubChem CID15998905
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
SMILESCc1ccc2nsnc2c1NC(=O)c1ccc(-c2cccc(Cl)c2C)o1
InChIInChI=1S/C19H14ClN3O2S/c1-10-6-7-14-18(23-26-22-14)17(10)21-19(24)16-9-8-15(25-16)12-4-3-5-13(20)11(12)2/h3-9H,1-2H3,(H,21,24)
InChIKeyGIAWLAPNYSKGKC-UHFFFAOYSA-N
XLogP5.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.86
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The IUPAC name of 5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide (CID 15998905) is 5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide is Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2cccc(Cl)c2C)o1.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The InChIKey is GIAWLAPNYSKGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c1-10-6-7-14-18(23-26-22-14)17(10)21-19(24)16-9-8-15(25-16)12-4-3-5-13(20)11(12)2/h3-9H,1-2H3,(H,21,24).
What are the key properties of 5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 15998905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).