3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

C14H13NO2S2 — CID 63797095

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1cccs1)c1sccc1C#CCO
InChIInChI=1S/C14H13NO2S2/c16-8-1-3-11-6-10-19-13(11)14(17)15-7-5-12-4-2-9-18-12/h2,4,6,9-10,16H,5,7-8H2,(H,15,17)
InChIKeyBPYKXQQKSPQBHQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.13
Rot. Bonds4

About 3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 63797095) has the molecular formula C14H13NO2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID63797095
Molecular FormulaC14H13NO2S2
Molecular Weight291.40 g/mol
Exact Mass291.04
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1cccs1)c1sccc1C#CCO
InChIInChI=1S/C14H13NO2S2/c16-8-1-3-11-6-10-19-13(11)14(17)15-7-5-12-4-2-9-18-12/h2,4,6,9-10,16H,5,7-8H2,(H,15,17)
InChIKeyBPYKXQQKSPQBHQ-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83115570
3-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 63796407
3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61090030
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 63798987
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methoxyethoxy)ethyl]thiophene-2-carboxamide
CID 63796096
3-(3-hydroxyprop-1-ynyl)-N-(4,4,4-trifluorobutyl)thiophene-2-carboxamide
CID 115521772
3-(3-hydroxyprop-1-ynyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 63798846
N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 79395346
3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 63796233
ethyl 4-[[3-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]amino]butanoate
CID 64574712
3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylthiophene-2-carboxamide
CID 63798682
3-(3-hydroxyprop-1-ynyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 63797845

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 63797095) is 3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is O=C(NCCc1cccs1)c1sccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is BPYKXQQKSPQBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S2/c16-8-1-3-11-6-10-19-13(11)14(17)15-7-5-12-4-2-9-18-12/h2,4,6,9-10,16H,5,7-8H2,(H,15,17).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63797095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).