N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide

C20H27NO3S — CID 55903263

IUPACN-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCCC(CC)C(NC(=O)COc1ccc(C)cc1OC)c1cccs1
InChIInChI=1S/C20H27NO3S/c1-5-15(6-2)20(18-8-7-11-25-18)21-19(22)13-24-16-10-9-14(3)12-17(16)23-4/h7-12,15,20H,5-6,13H2,1-4H3,(H,21,22)
InChIKeyWUGNPKPULOSQJF-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.74
Rot. Bonds9

About N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide

N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 55903263) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID55903263
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCCC(CC)C(NC(=O)COc1ccc(C)cc1OC)c1cccs1
InChIInChI=1S/C20H27NO3S/c1-5-15(6-2)20(18-8-7-11-25-18)21-19(22)13-24-16-10-9-14(3)12-17(16)23-4/h7-12,15,20H,5-6,13H2,1-4H3,(H,21,22)
InChIKeyWUGNPKPULOSQJF-UHFFFAOYSA-N
XLogP4.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 51966640
2-(2-methoxyphenoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 46828508
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793667
2-(2-methoxy-4-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29297483
2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 16511688
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051743
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55984026
2-(4-acetyl-2-methoxyphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8808304

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide (CID 55903263) is N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide is CCC(CC)C(NC(=O)COc1ccc(C)cc1OC)c1cccs1.
What is the InChIKey of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is WUGNPKPULOSQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3S/c1-5-15(6-2)20(18-8-7-11-25-18)21-19(22)13-24-16-10-9-14(3)12-17(16)23-4/h7-12,15,20H,5-6,13H2,1-4H3,(H,21,22).
What are the key properties of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 361.51 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 55903263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).