N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide

C10H11NO2S — CID 114390087

IUPACN-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide
SMILESC#CC(C)NC(=O)c1sccc1OC
InChIInChI=1S/C10H11NO2S/c1-4-7(2)11-10(12)9-8(13-3)5-6-14-9/h1,5-7H,2-3H3,(H,11,12)
InChIKeyWVHCIXJXTPIJSG-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.51
Rot. Bonds3

About N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide

N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide (PubChem CID 114390087) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide
PubChem CID114390087
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC NameN-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide
SMILESC#CC(C)NC(=O)c1sccc1OC
InChIInChI=1S/C10H11NO2S/c1-4-7(2)11-10(12)9-8(13-3)5-6-14-9/h1,5-7H,2-3H3,(H,11,12)
InChIKeyWVHCIXJXTPIJSG-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579170
N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide
CID 115647257
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
(2S)-2-[(3-methoxythiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81126687
N-but-3-yn-2-yl-2,6-dimethoxybenzamide
CID 114418997
N-but-3-yn-2-yl-2,5-dimethoxybenzamide
CID 114389664
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxythiophene-2-carboxamide
CID 106355861
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549404
3-bromo-N-but-3-yn-2-yl-4-methoxybenzamide
CID 114389789

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide (CID 114390087) is N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide is C#CC(C)NC(=O)c1sccc1OC.
What is the InChIKey of N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide?
The InChIKey is WVHCIXJXTPIJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-4-7(2)11-10(12)9-8(13-3)5-6-14-9/h1,5-7H,2-3H3,(H,11,12).
What are the key properties of N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide?
N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide has a molecular weight of 209.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 114390087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).