N-(5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide

HCID 178952986

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Basic information

CAS: 905776-51-4
Standard SMILES: CCCCS(=O)(=O)c1nnc(NC(=O)COc2cc(C)ccc2C(C)C)s1
InChIKey: OFPFKMWGEZJWMK-UHFFFAOYSA-N
Molecular formula: C18H25N3O4S2
Average molar mass: 411.5 g/mol

Names & identifiers

Preferred name: N-(5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
IUPAC: N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
English name: N-[5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
Molecular formula: C18H25N3O4S2
Molecular weight: 411.54

Names & synonyms

N-(5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide905776-51-4N-[5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(2-isopropyl-5-methylphenoxy)acetamideSTK607896AKOS002335767N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamideAO-022/43454448N-[5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamideAcetamide, N-[5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-[5-methyl-2-(1-methylethyl)phenoxy]-

Database identifiers

CAS: 905776-51-4

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 135 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 27
Formal charge: 0
Complexity: 580

Chemistry & industry

Suppliers4 total

Interbioscreen Ltd.[email protected]

OTAVA-BB[email protected]

SPECS[email protected]

VITAS-BB—

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