N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide

HCID 4664352

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Basic information

CAS: 514800-79-4
Standard SMILES: NC(=O)c1c(NC(=O)c2ccc(COc3ccccc3Cl)o2)sc2c1CCCC2
InChIKey: JAGPMFQQNDTEOP-UHFFFAOYSA-N
Molecular formula: C21H19ClN2O4S
Average molar mass: 430.9 g/mol
Monoisotopic mass: 430.075406

Names & identifiers

Preferred name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
IUPAC: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide

Names & synonyms

Oprea1_550135N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamideDTXSID301108159STL172601AKOS003793946514800-79-4ST0336062-({5-[(2-chlorophenoxy)methyl]-2-furyl}carbonylamino)-4,5,6,7-tetrahydrobenzo [b]thiophene-3-carboxamideBenzo[b]thiophene-3-carboxamide, 2-[[[5-[(2-chlorophenoxy)methyl]-2-furanyl]carbonyl]amino]-4,5,6,7-tetrahydro-

Database identifiers

CAS: 514800-79-4
PubChem CID: 4664352
DTXSID: DTXSID301108159

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 123 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 609

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