3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide

C11H13NO2S — CID 103579170

IUPAC3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
SMILESC#CC(CC)NC(=O)c1sccc1OC
InChIInChI=1S/C11H13NO2S/c1-4-8(5-2)12-11(13)10-9(14-3)6-7-15-10/h1,6-8H,5H2,2-3H3,(H,12,13)
InChIKeyDBTXZEIPOCDZMJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.90
Rot. Bonds4

About 3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide

3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide (PubChem CID 103579170) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
PubChem CID103579170
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
SMILESC#CC(CC)NC(=O)c1sccc1OC
InChIInChI=1S/C11H13NO2S/c1-4-8(5-2)12-11(13)10-9(14-3)6-7-15-10/h1,6-8H,5H2,2-3H3,(H,12,13)
InChIKeyDBTXZEIPOCDZMJ-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.90
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

N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide
CID 115647257
N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide
CID 114390087
3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579009
2,6-dimethoxy-N-pent-1-yn-3-ylbenzamide
CID 103579049
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide
CID 96549835
4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide
CID 114160322
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxythiophene-2-carboxamide
CID 106355861
3-fluoro-4-methoxy-N-pent-1-yn-3-ylbenzamide
CID 103579091
(2S)-2-[(3-methoxythiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81126687
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
CID 114168687

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide (CID 103579170) is 3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide is C#CC(CC)NC(=O)c1sccc1OC.
What is the InChIKey of 3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide?
The InChIKey is DBTXZEIPOCDZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-4-8(5-2)12-11(13)10-9(14-3)6-7-15-10/h1,6-8H,5H2,2-3H3,(H,12,13).
What are the key properties of 3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide?
3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide has a molecular weight of 223.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 103579170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).