4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide

C19H23NO4S — CID 9102600

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1OC
InChIInChI=1S/C19H23NO4S/c1-5-24-17-8-6-14(11-18(17)23-4)20-19(22)9-7-16(21)15-10-12(2)25-13(15)3/h6,8,10-11H,5,7,9H2,1-4H3,(H,20,22)
InChIKeyVLDVNYMAIXJSIC-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.37
Rot. Bonds8

About 4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide

4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide (PubChem CID 9102600) 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-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide
PubChem CID9102600
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1OC
InChIInChI=1S/C19H23NO4S/c1-5-24-17-8-6-14(11-18(17)23-4)20-19(22)9-7-16(21)15-10-12(2)25-13(15)3/h6,8,10-11H,5,7,9H2,1-4H3,(H,20,22)
InChIKeyVLDVNYMAIXJSIC-UHFFFAOYSA-N
XLogP4.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 2469868
N-(3,5-dimethoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 17426438
4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide
CID 24635830
N-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 9413379
4-(2,5-dimethylthiophen-3-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9416232
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27700487
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
methyl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzoate
CID 26886717
4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide
CID 46518580
N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide
CID 9103080
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 7969004

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide (CID 9102600) is 4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide is CCOc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1OC.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide?
The InChIKey is VLDVNYMAIXJSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-5-24-17-8-6-14(11-18(17)23-4)20-19(22)9-7-16(21)15-10-12(2)25-13(15)3/h6,8,10-11H,5,7,9H2,1-4H3,(H,20,22).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide has a molecular weight of 361.46 g/mol, XLogP of 4.37, 8 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-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 9102600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).