1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide

C14H16N2O3S — CID 79982227

IUPAC1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC2C(N)=O)sc1C#CCO
InChIInChI=1S/C14H16N2O3S/c1-9-8-12(20-11(9)5-3-7-17)14(19)16-6-2-4-10(16)13(15)18/h8,10,17H,2,4,6-7H2,1H3,(H2,15,18)
InChIKeySARZFYFXHURTFI-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.49
Rot. Bonds2

About 1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide

1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 79982227) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID79982227
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC2C(N)=O)sc1C#CCO
InChIInChI=1S/C14H16N2O3S/c1-9-8-12(20-11(9)5-3-7-17)14(19)16-6-2-4-10(16)13(15)18/h8,10,17H,2,4,6-7H2,1H3,(H2,15,18)
InChIKeySARZFYFXHURTFI-UHFFFAOYSA-N
XLogP0.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.49
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

1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]piperidine-2-carboxamide
CID 79978488
[5-(3-hydroxyprop-1-ynyl)-4-methylthiophen-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 79989780
(2-ethylpyrrolidin-1-yl)-[5-(4-hydroxybut-1-ynyl)-4-methylthiophen-2-yl]methanone
CID 79981345
[3-(2-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophen-2-yl]methanone
CID 107228516
1-[3-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]pyrrolidine-2-carboxamide
CID 55240496
[5-(3-hydroxyprop-1-ynyl)-4-methylthiophen-2-yl]-(4-propylpiperazin-1-yl)methanone
CID 79975418
5-(3-hydroxyprop-1-ynyl)-N,4-dimethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 79976121
[5-(4-hydroxybut-1-ynyl)-4-methylthiophen-2-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 79981421
N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79977769
N-cycloheptyl-5-(3-hydroxyprop-1-ynyl)-N,4-dimethylthiophene-2-carboxamide
CID 79977994
N-cyclopentyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79976966
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophen-2-yl]methanone
CID 79976603

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide (CID 79982227) is 1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide is Cc1cc(C(=O)N2CCCC2C(N)=O)sc1C#CCO.
What is the InChIKey of 1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is SARZFYFXHURTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-8-12(20-11(9)5-3-7-17)14(19)16-6-2-4-10(16)13(15)18/h8,10,17H,2,4,6-7H2,1H3,(H2,15,18).
What are the key properties of 1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide?
1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79982227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).