3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

C15H20N2O3S — CID 63796233

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1sccc1C#CCO
InChIInChI=1S/C15H20N2O3S/c18-9-1-3-13-4-12-21-14(13)15(19)16-5-2-6-17-7-10-20-11-8-17/h4,12,18H,2,5-11H2,(H,16,19)
InChIKeyXVLAUKAHLJSUNV-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.54
Rot. Bonds5

About 3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 63796233) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
PubChem CID63796233
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1sccc1C#CCO
InChIInChI=1S/C15H20N2O3S/c18-9-1-3-13-4-12-21-14(13)15(19)16-5-2-6-17-7-10-20-11-8-17/h4,12,18H,2,5-11H2,(H,16,19)
InChIKeyXVLAUKAHLJSUNV-UHFFFAOYSA-N
XLogP0.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 63801611
3-(4-hydroxybut-1-ynyl)-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 106326811
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63897685
5-(3-aminoprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 61075848
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
3-(3-hydroxyprop-1-ynyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
CID 63796633
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690078
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
3-(3-hydroxyprop-1-ynyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 63797845
N-[4-(dimethylamino)butyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63796452
2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114115

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (CID 63796233) is 3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is O=C(NCCCN1CCOCC1)c1sccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The InChIKey is XVLAUKAHLJSUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-9-1-3-13-4-12-21-14(13)15(19)16-5-2-6-17-7-10-20-11-8-17/h4,12,18H,2,5-11H2,(H,16,19).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 63796233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).