N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide

C15H20N2O3S — CID 63798173

IUPACN-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1sccc1C#CCO
InChIInChI=1S/C15H20N2O3S/c1-4-17(10-13(19)16-11(2)3)15(20)14-12(6-5-8-18)7-9-21-14/h7,9,11,18H,4,8,10H2,1-3H3,(H,16,19)
InChIKeyJBJCSFLNWQAJDW-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.08
Rot. Bonds5

About N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide

N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide (PubChem CID 63798173) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
PubChem CID63798173
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1sccc1C#CCO
InChIInChI=1S/C15H20N2O3S/c1-4-17(10-13(19)16-11(2)3)15(20)14-12(6-5-8-18)7-9-21-14/h7,9,11,18H,4,8,10H2,1-3H3,(H,16,19)
InChIKeyJBJCSFLNWQAJDW-UHFFFAOYSA-N
XLogP1.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.08
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

methyl 2-[[3-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]-propylamino]acetate
CID 63798419
methyl 2-[ethyl-[3-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]amino]acetate
CID 63798000
N-[2-(dimethylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 63798421
methyl 2-[[3-(3-aminoprop-1-ynyl)thiophene-2-carbonyl]-ethylamino]acetate
CID 63801626
N-ethyl-N-(furan-2-ylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63798156
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63798164
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 60643349
N-[2-(dimethylamino)propyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63796281
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 65042711
methyl 2-[[3-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]amino]propanoate
CID 55239547
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-[3-(methylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 106917655

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide (CID 63798173) is N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1sccc1C#CCO.
What is the InChIKey of N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is JBJCSFLNWQAJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-17(10-13(19)16-11(2)3)15(20)14-12(6-5-8-18)7-9-21-14/h7,9,11,18H,4,8,10H2,1-3H3,(H,16,19).
What are the key properties of N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide?
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 63798173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).