N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide

C16H11N3O4S2 — CID 16906882

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3cc4ncccc4o3)sc2c1
InChIInChI=1S/C16H11N3O4S2/c1-25(21,22)9-4-5-10-14(7-9)24-16(18-10)19-15(20)13-8-11-12(23-13)3-2-6-17-11/h2-8H,1H3,(H,18,19,20)
InChIKeyIINGHQNCCZAFIF-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.09
Rot. Bonds3

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide (PubChem CID 16906882) has the molecular formula C16H11N3O4S2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide
PubChem CID16906882
Molecular FormulaC16H11N3O4S2
Molecular Weight373.42 g/mol
Exact Mass373.02
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3cc4ncccc4o3)sc2c1
InChIInChI=1S/C16H11N3O4S2/c1-25(21,22)9-4-5-10-14(7-9)24-16(18-10)19-15(20)13-8-11-12(23-13)3-2-6-17-11/h2-8H,1H3,(H,18,19,20)
InChIKeyIINGHQNCCZAFIF-UHFFFAOYSA-N
XLogP3.09
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 17012662
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2971235
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 18196513
3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888296
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
CID 121167400
3,6,7-trimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 986538
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
5-(4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17013473
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 55765139

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide (CID 16906882) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide is CS(=O)(=O)c1ccc2nc(NC(=O)c3cc4ncccc4o3)sc2c1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is IINGHQNCCZAFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4S2/c1-25(21,22)9-4-5-10-14(7-9)24-16(18-10)19-15(20)13-8-11-12(23-13)3-2-6-17-11/h2-8H,1H3,(H,18,19,20).
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 16906882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).