4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide

C19H23NO4S — CID 43009505

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
SMILESCOc1ccccc1OCCNC(=O)CCC(=O)c1cc(C)sc1C
InChIInChI=1S/C19H23NO4S/c1-13-12-15(14(2)25-13)16(21)8-9-19(22)20-10-11-24-18-7-5-4-6-17(18)23-3/h4-7,12H,8-11H2,1-3H3,(H,20,22)
InChIKeyWIJGLSFXWPYTRQ-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.53
Rot. Bonds9

About 4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide

4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide (PubChem CID 43009505) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
PubChem CID43009505
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
SMILESCOc1ccccc1OCCNC(=O)CCC(=O)c1cc(C)sc1C
InChIInChI=1S/C19H23NO4S/c1-13-12-15(14(2)25-13)16(21)8-9-19(22)20-10-11-24-18-7-5-4-6-17(18)23-3/h4-7,12H,8-11H2,1-3H3,(H,20,22)
InChIKeyWIJGLSFXWPYTRQ-UHFFFAOYSA-N
XLogP3.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 4786393
4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide
CID 24635830
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 38451172
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 38455868
N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
CID 119383494
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide
CID 9102600
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55933615
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]-3-methylbenzamide
CID 18113511
4-(2,5-dimethylthiophen-3-yl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431451

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide (CID 43009505) is 4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide is COc1ccccc1OCCNC(=O)CCC(=O)c1cc(C)sc1C.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide?
The InChIKey is WIJGLSFXWPYTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-13-12-15(14(2)25-13)16(21)8-9-19(22)20-10-11-24-18-7-5-4-6-17(18)23-3/h4-7,12H,8-11H2,1-3H3,(H,20,22).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide has a molecular weight of 361.46 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide is sourced from PubChem (CID 43009505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).