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

C18H23NO2S — CID 78781430

IUPACN-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
SMILESCOCCN(Cc1ccccc1)C(=O)CCCc1cccs1
InChIInChI=1S/C18H23NO2S/c1-21-13-12-19(15-16-7-3-2-4-8-16)18(20)11-5-9-17-10-6-14-22-17/h2-4,6-8,10,14H,5,9,11-13,15H2,1H3
InChIKeyMMYNYEHPVHDJHB-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.75
Rot. Bonds9

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

N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide (PubChem CID 78781430) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
PubChem CID78781430
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
SMILESCOCCN(Cc1ccccc1)C(=O)CCCc1cccs1
InChIInChI=1S/C18H23NO2S/c1-21-13-12-19(15-16-7-3-2-4-8-16)18(20)11-5-9-17-10-6-14-22-17/h2-4,6-8,10,14H,5,9,11-13,15H2,1H3
InChIKeyMMYNYEHPVHDJHB-UHFFFAOYSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride
CID 120649485
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)octanamide
CID 4288111
N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 78781446
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135665197
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)octanamide
CID 3979411
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 5021949
N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
CID 60939568
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 4517686
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 5056995
ethyl 4-[[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(3-methoxypropyl)amino]-4-oxobutanoate
CID 3940148

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide (CID 78781430) is N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide is COCCN(Cc1ccccc1)C(=O)CCCc1cccs1.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide?
The InChIKey is MMYNYEHPVHDJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-21-13-12-19(15-16-7-3-2-4-8-16)18(20)11-5-9-17-10-6-14-22-17/h2-4,6-8,10,14H,5,9,11-13,15H2,1H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide?
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide has a molecular weight of 317.45 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 78781430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).