(2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C17H14N2O2S2 — CID 26693774

IUPAC(2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc2s1
InChIInChI=1S/C17H14N2O2S2/c1-22-17-19-12-7-6-11(9-15(12)23-17)18-16(20)14-8-10-4-2-3-5-13(10)21-14/h2-7,9,14H,8H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyDZUZTGWZSILDAS-AWEZNQCLSA-N
MW342.45 g/mol
LogP3.96
Rot. Bonds3

About (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26693774) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26693774
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC Name(2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc2s1
InChIInChI=1S/C17H14N2O2S2/c1-22-17-19-12-7-6-11(9-15(12)23-17)18-16(20)14-8-10-4-2-3-5-13(10)21-14/h2-7,9,14H,8H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyDZUZTGWZSILDAS-AWEZNQCLSA-N
XLogP3.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-9H-xanthene-9-carboxamide
CID 43952401
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
CID 672510
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26687760
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702575
(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9077488
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 55150236
(3R)-N-(2-methyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7096285
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
trans-(1R,2R)-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 94848507

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26693774) is (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CSc1nc2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc2s1.
What is the InChIKey of (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DZUZTGWZSILDAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c1-22-17-19-12-7-6-11(9-15(12)23-17)18-16(20)14-8-10-4-2-3-5-13(10)21-14/h2-7,9,14H,8H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26693774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).