4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide

C14H23NO2S — CID 81042466

IUPAC4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC(C)CCO)cc1CC
InChIInChI=1S/C14H23NO2S/c1-4-6-12-11(5-2)9-13(18-12)14(17)15-10(3)7-8-16/h9-10,16H,4-8H2,1-3H3,(H,15,17)
InChIKeyUACJSQJLQBRTIC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.76
Rot. Bonds7

About 4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide

4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide (PubChem CID 81042466) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide
PubChem CID81042466
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC(C)CCO)cc1CC
InChIInChI=1S/C14H23NO2S/c1-4-6-12-11(5-2)9-13(18-12)14(17)15-10(3)7-8-16/h9-10,16H,4-8H2,1-3H3,(H,15,17)
InChIKeyUACJSQJLQBRTIC-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide
CID 106353194
4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide
CID 55433085
4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 55333294
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
(2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834625
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793352
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651386
methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate
CID 60656066
N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 97098923
N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 56515395
(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 54991565

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide (CID 81042466) is 4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NC(C)CCO)cc1CC.
What is the InChIKey of 4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide?
The InChIKey is UACJSQJLQBRTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-6-12-11(5-2)9-13(18-12)14(17)15-10(3)7-8-16/h9-10,16H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide?
4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide has a molecular weight of 269.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 81042466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).