4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide

C17H29NO2S — CID 106353194

IUPAC4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC(CCO)C(C)(C)C)cc1CC
InChIInChI=1S/C17H29NO2S/c1-6-8-13-12(7-2)11-14(21-13)16(20)18-15(9-10-19)17(3,4)5/h11,15,19H,6-10H2,1-5H3,(H,18,20)
InChIKeyOKITXAYWOGUEHG-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.79
Rot. Bonds7

About 4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide

4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide (PubChem CID 106353194) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide
PubChem CID106353194
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC(CCO)C(C)(C)C)cc1CC
InChIInChI=1S/C17H29NO2S/c1-6-8-13-12(7-2)11-14(21-13)16(20)18-15(9-10-19)17(3,4)5/h11,15,19H,6-10H2,1-5H3,(H,18,20)
InChIKeyOKITXAYWOGUEHG-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide
CID 81042466
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793352
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
1-tert-butyl-3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]thiourea
CID 9425746
(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
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
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)thiophene-3-carboxamide
CID 114177005
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651318
methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate
CID 60656066
4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106358518

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide (CID 106353194) is 4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NC(CCO)C(C)(C)C)cc1CC.
What is the InChIKey of 4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide?
The InChIKey is OKITXAYWOGUEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-6-8-13-12(7-2)11-14(21-13)16(20)18-15(9-10-19)17(3,4)5/h11,15,19H,6-10H2,1-5H3,(H,18,20).
What are the key properties of 4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide?
4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide has a molecular weight of 311.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 106353194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).