4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide

C18H23NO3S — CID 112766186

IUPAC4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NC(C)c1cccs1
InChIInChI=1S/C18H23NO3S/c1-3-21-15-8-4-5-9-16(15)22-12-6-11-18(20)19-14(2)17-10-7-13-23-17/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3,(H,19,20)
InChIKeyIUYUMSHHVZUTLN-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.18
Rot. Bonds9

About 4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide

4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide (PubChem CID 112766186) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
PubChem CID112766186
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NC(C)c1cccs1
InChIInChI=1S/C18H23NO3S/c1-3-21-15-8-4-5-9-16(15)22-12-6-11-18(20)19-14(2)17-10-7-13-23-17/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3,(H,19,20)
InChIKeyIUYUMSHHVZUTLN-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide
CID 8853760
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 45154352
2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 81420840
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide
CID 43059642
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide (CID 112766186) is 4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide is CCOc1ccccc1OCCCC(=O)NC(C)c1cccs1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide?
The InChIKey is IUYUMSHHVZUTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-3-21-15-8-4-5-9-16(15)22-12-6-11-18(20)19-14(2)17-10-7-13-23-17/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3,(H,19,20).
What are the key properties of 4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide?
4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide has a molecular weight of 333.45 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 112766186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).