2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide

C19H25NO2S — CID 112795027

IUPAC2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(CC)C(=O)N(Cc1cccs1)Cc1ccccc1OC
InChIInChI=1S/C19H25NO2S/c1-4-15(5-2)19(21)20(14-17-10-8-12-23-17)13-16-9-6-7-11-18(16)22-3/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyNYIYAMOHSOTJJY-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.72
Rot. Bonds8

About 2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide

2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 112795027) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
PubChem CID112795027
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(CC)C(=O)N(Cc1cccs1)Cc1ccccc1OC
InChIInChI=1S/C19H25NO2S/c1-4-15(5-2)19(21)20(14-17-10-8-12-23-17)13-16-9-6-7-11-18(16)22-3/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyNYIYAMOHSOTJJY-UHFFFAOYSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 112795029
N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119685033
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
(E)-3-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 26905554
4-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8891705
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794367

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide (CID 112795027) is 2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide is CCC(CC)C(=O)N(Cc1cccs1)Cc1ccccc1OC.
What is the InChIKey of 2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is NYIYAMOHSOTJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-4-15(5-2)19(21)20(14-17-10-8-12-23-17)13-16-9-6-7-11-18(16)22-3/h6-12,15H,4-5,13-14H2,1-3H3.
What are the key properties of 2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide?
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 331.48 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 112795027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).