4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide

C23H25NO3S — CID 8853760

IUPAC4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C23H25NO3S/c1-2-26-19-12-6-7-13-20(19)27-16-8-15-22(25)24-23(21-14-9-17-28-21)18-10-4-3-5-11-18/h3-7,9-14,17,23H,2,8,15-16H2,1H3,(H,24,25)/t23-/m0/s1
InChIKeyLZBFMENUKGDYFW-QHCPKHFHSA-N
MW395.52 g/mol
LogP5.21
Rot. Bonds10

About 4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide

4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide (PubChem CID 8853760) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide
PubChem CID8853760
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC Name4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C23H25NO3S/c1-2-26-19-12-6-7-13-20(19)27-16-8-15-22(25)24-23(21-14-9-17-28-21)18-10-4-3-5-11-18/h3-7,9-14,17,23H,2,8,15-16H2,1H3,(H,24,25)/t23-/m0/s1
InChIKeyLZBFMENUKGDYFW-QHCPKHFHSA-N
XLogP5.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.21
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-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848
2-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853842
4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
CID 112766186
4-phenylsulfanyl-N-[phenyl(thiophen-2-yl)methyl]butanamide
CID 24683529
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
2-(2-fluorophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9011592
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate
CID 9286941
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide (CID 8853760) is 4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide is CCOc1ccccc1OCCCC(=O)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide?
The InChIKey is LZBFMENUKGDYFW-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25NO3S/c1-2-26-19-12-6-7-13-20(19)27-16-8-15-22(25)24-23(21-14-9-17-28-21)18-10-4-3-5-11-18/h3-7,9-14,17,23H,2,8,15-16H2,1H3,(H,24,25)/t23-/m0/s1.
What are the key properties of 4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide?
4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide has a molecular weight of 395.52 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 8853760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).