3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

C15H18N2O3S — CID 63797469

IUPAC3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1sccc1C#CCO
InChIInChI=1S/C15H18N2O3S/c1-16(11-13(19)17-7-2-3-8-17)15(20)14-12(5-4-9-18)6-10-21-14/h6,10,18H,2-3,7-9,11H2,1H3
InChIKeyLAWZOEOJUJIUGC-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.79
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 63797469) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID63797469
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1sccc1C#CCO
InChIInChI=1S/C15H18N2O3S/c1-16(11-13(19)17-7-2-3-8-17)15(20)14-12(5-4-9-18)6-10-21-14/h6,10,18H,2-3,7-9,11H2,1H3
InChIKeyLAWZOEOJUJIUGC-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 106917655
N-(2-ethoxyethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylthiophene-2-carboxamide
CID 81062453
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 63796409
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
CID 63960346
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 63836480
methyl 2-[[3-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]-propylamino]acetate
CID 63798419
(2-ethylazepan-1-yl)-[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 104691234
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 63798173
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83115570
N-[2-(dimethylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 63798421
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
CID 112663407
(3S)-1-[2-[(3-methoxythiophene-2-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 129466589

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (CID 63797469) is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is CN(CC(=O)N1CCCC1)C(=O)c1sccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is LAWZOEOJUJIUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-16(11-13(19)17-7-2-3-8-17)15(20)14-12(5-4-9-18)6-10-21-14/h6,10,18H,2-3,7-9,11H2,1H3.
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63797469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).