N-benzyl-2-[(4-ethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

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Basic information

CAS: 5919-13-1
Standard SMILES: CCc1ccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2sccc2C)CC2CCCO2)cc1
InChIKey: GBMFSBZHKYZYNW-UHFFFAOYSA-N
Molecular formula: C29H35N3O3S
Average molar mass: 505.7 g/mol
Monoisotopic mass: 505.23991316

Names & identifiers

Preferred name: N-benzyl-2-[(4-ethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
IUPAC: N-benzyl-2-[(4-ethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

Names & synonyms

5919-13-1N-benzyl-2-[(4-ethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamideDTXSID30411160N-Benzyl-N~2~-[(4-ethylphenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide

Database identifiers

CAS: 5919-13-1
PubChem CID: 5222601
DTXSID: DTXSID30411160

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 90.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 36
Formal charge: 0
Complexity: 693

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Compound notes

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