3,4-diethoxy-N-(6-(pyrrolidin-1-ylsulfonyl)benzo[d]thiazol-2-yl)benzamide

HCID 178698596

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Basic information

CAS: 692745-99-6
Standard SMILES: CCOc1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)cc1OCC
InChIKey: BEEDQZRMAHXTBS-UHFFFAOYSA-N
Molecular formula: C22H25N3O5S2
Average molar mass: 475.6 g/mol
Monoisotopic mass: 475.12356325

Names & identifiers

Preferred name: 3,4-diethoxy-N-(6-(pyrrolidin-1-ylsulfonyl)benzo[d]thiazol-2-yl)benzamide
IUPAC: 3,4-diethoxy-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
English name: 3,4-diethoxy-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide
Molecular formula: C22H25N3O5S2
Molecular weight: 475.58

Names & synonyms

692745-99-63,4-diethoxy-N-(6-(pyrrolidin-1-ylsulfonyl)benzo[d]thiazol-2-yl)benzamide3,4-DIETHOXY-N-[6-(PYRROLIDINE-1-SULFONYL)-1,3-BENZOTHIAZOL-2-YL]BENZAMIDE3,4-diethoxy-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamideAKOS002219680ST50109657AP-906/42713085F1420-1624(3,4-diethoxyphenyl)-N-[6-(pyrrolidinylsulfonyl)benzothiazol-2-yl]carboxamide3,4-diethoxy-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamideBenzamide, 3,4-diethoxy-N-[6-(1-pyrrolidinylsulfonyl)-2-benzothiazolyl]-

Database identifiers

CAS: 692745-99-6
PubChem CID: 993387

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 134 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 740

Chemistry & industry

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SPECS[email protected]

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