3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide

C12H19NO2S — CID 109479175

IUPAC3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(CC)CCO
InChIInChI=1S/C12H19NO2S/c1-3-9-6-8-16-11(9)12(15)13-10(4-2)5-7-14/h6,8,10,14H,3-5,7H2,1-2H3,(H,13,15)
InChIKeyATVPWUAPXHJGDG-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.20
Rot. Bonds6

About 3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide

3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide (PubChem CID 109479175) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide
PubChem CID109479175
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(CC)CCO
InChIInChI=1S/C12H19NO2S/c1-3-9-6-8-16-11(9)12(15)13-10(4-2)5-7-14/h6,8,10,14H,3-5,7H2,1-2H3,(H,13,15)
InChIKeyATVPWUAPXHJGDG-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide
CID 115647216
3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 66107939
3-amino-N-hexan-3-ylthiophene-2-carboxamide
CID 62092927
N-[(2R)-1-aminopropan-2-yl]-3-ethylthiophene-2-carboxamide
CID 104872864
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide
CID 78989474
2-[[(3-ethylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65217931
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide
CID 114008198
(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 55229401
3-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-2-carboxamide
CID 63800405
N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
CID 103850626
N-(1-aminobutan-2-yl)-3-bromothiophene-2-carboxamide
CID 65193512

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide (CID 109479175) is 3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide is CCc1ccsc1C(=O)NC(CC)CCO.
What is the InChIKey of 3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide?
The InChIKey is ATVPWUAPXHJGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-9-6-8-16-11(9)12(15)13-10(4-2)5-7-14/h6,8,10,14H,3-5,7H2,1-2H3,(H,13,15).
What are the key properties of 3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide?
3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 109479175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).