N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

C14H18N2O3S — CID 79696423

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1csc(C#CCO)c1
InChIInChI=1S/C14H18N2O3S/c1-3-15-13(18)9-16(4-2)14(19)11-8-12(20-10-11)6-5-7-17/h8,10,17H,3-4,7,9H2,1-2H3,(H,15,18)
InChIKeyBZUKRKZAIPDKEN-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.69
Rot. Bonds5

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (PubChem CID 79696423) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
PubChem CID79696423
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1csc(C#CCO)c1
InChIInChI=1S/C14H18N2O3S/c1-3-15-13(18)9-16(4-2)14(19)11-8-12(20-10-11)6-5-7-17/h8,10,17H,3-4,7,9H2,1-2H3,(H,15,18)
InChIKeyBZUKRKZAIPDKEN-UHFFFAOYSA-N
XLogP0.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.69
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

5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide
CID 79696521
N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695876
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 79696540
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylthiophene-3-carboxamide
CID 79683563
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79694004
3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107585
methyl 4-[[5-(3-hydroxyprop-1-ynyl)thiophene-3-carbonyl]-methylamino]butanoate
CID 79696701
N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106342102
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 79690255
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
CID 54986420
5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693657
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (CID 79696423) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is CCNC(=O)CN(CC)C(=O)c1csc(C#CCO)c1.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The InChIKey is BZUKRKZAIPDKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-15-13(18)9-16(4-2)14(19)11-8-12(20-10-11)6-5-7-17/h8,10,17H,3-4,7,9H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is sourced from PubChem (CID 79696423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).