N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide

C14H16N2O3S — CID 63797540

IUPACN-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1sccc1C#CCO
InChIInChI=1S/C14H16N2O3S/c1-19-10-8-16(7-3-6-15)14(18)13-12(4-2-9-17)5-11-20-13/h5,11,17H,3,7-10H2,1H3
InChIKeyQUTKSBFFPVXXNV-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.09
Rot. Bonds6

About N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide

N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 63797540) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID63797540
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1sccc1C#CCO
InChIInChI=1S/C14H16N2O3S/c1-19-10-8-16(7-3-6-15)14(18)13-12(4-2-9-17)5-11-20-13/h5,11,17H,3,7-10H2,1H3
InChIKeyQUTKSBFFPVXXNV-UHFFFAOYSA-N
XLogP1.09
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 63799883
methyl 2-[[3-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]-propylamino]acetate
CID 63798419
N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 63237168
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 55169226
N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
CID 55169420
N-[2-(dimethylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 63798421
5-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 79684439
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
3-(3-aminoprop-1-ynyl)-N,N-dipropylthiophene-2-carboxamide
CID 63801431
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 115772776
3-ethyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 113351138
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 63797540) is N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(CCC#N)C(=O)c1sccc1C#CCO.
What is the InChIKey of N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is QUTKSBFFPVXXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-10-8-16(7-3-6-15)14(18)13-12(4-2-9-17)5-11-20-13/h5,11,17H,3,7-10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63797540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).