N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide

C18H21NO3S — CID 78781446

IUPACN-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOCCN(Cc1ccccc1)C(=O)CCC(=O)c1cccs1
InChIInChI=1S/C18H21NO3S/c1-22-12-11-19(14-15-6-3-2-4-7-15)18(21)10-9-16(20)17-8-5-13-23-17/h2-8,13H,9-12,14H2,1H3
InChIKeyZXRLSQFTRDLHBR-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.39
Rot. Bonds9

About N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide

N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 78781446) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID78781446
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOCCN(Cc1ccccc1)C(=O)CCC(=O)c1cccs1
InChIInChI=1S/C18H21NO3S/c1-22-12-11-19(14-15-6-3-2-4-7-15)18(21)10-9-16(20)17-8-5-13-23-17/h2-8,13H,9-12,14H2,1H3
InChIKeyZXRLSQFTRDLHBR-UHFFFAOYSA-N
XLogP3.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106
N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide
CID 94102437
2-amino-N-benzyl-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 115286511
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60687710
ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate
CID 43910590
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)octanamide
CID 4288111
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
N-benzyl-N-(2-methoxyethyl)-2-(2-methoxyethylamino)acetamide
CID 78914153
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 78781446) is N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide is COCCN(Cc1ccccc1)C(=O)CCC(=O)c1cccs1.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is ZXRLSQFTRDLHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-22-12-11-19(14-15-6-3-2-4-7-15)18(21)10-9-16(20)17-8-5-13-23-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 331.44 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 78781446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).