4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide

C18H23NO3S — CID 134056527

IUPAC4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1sccc1C
InChIInChI=1S/C18H23NO3S/c1-3-21-15-7-4-5-8-16(15)22-11-6-9-18(20)19-13-17-14(2)10-12-23-17/h4-5,7-8,10,12H,3,6,9,11,13H2,1-2H3,(H,19,20)
InChIKeyOPQCCYZRPQDDOF-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.93
Rot. Bonds9

About 4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide

4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide (PubChem CID 134056527) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide
PubChem CID134056527
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1sccc1C
InChIInChI=1S/C18H23NO3S/c1-3-21-15-7-4-5-8-16(15)22-11-6-9-18(20)19-13-17-14(2)10-12-23-17/h4-5,7-8,10,12H,3,6,9,11,13H2,1-2H3,(H,19,20)
InChIKeyOPQCCYZRPQDDOF-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
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

3-(2-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 134056529
N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide
CID 134056517
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
N-[(4-bromothiophen-2-yl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55801604
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 82851695
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
CID 112766186
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 108760280
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 2679260
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide (CID 134056527) is 4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide is CCOc1ccccc1OCCCC(=O)NCc1sccc1C.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is OPQCCYZRPQDDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-3-21-15-7-4-5-8-16(15)22-11-6-9-18(20)19-13-17-14(2)10-12-23-17/h4-5,7-8,10,12H,3,6,9,11,13H2,1-2H3,(H,19,20).
What are the key properties of 4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide?
4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 333.45 g/mol, XLogP of 3.93, 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-[(3-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 134056527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).