N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide

C15H22N2O2S — CID 61075989

IUPACN-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(C#CCCO)s1
InChIInChI=1S/C15H22N2O2S/c1-3-17(4-2)11-10-16-15(19)14-9-8-13(20-14)7-5-6-12-18/h8-9,18H,3-4,6,10-12H2,1-2H3,(H,16,19)
InChIKeyXHGYDSKZZXMFSX-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.55
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide

N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide (PubChem CID 61075989) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
PubChem CID61075989
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(C#CCCO)s1
InChIInChI=1S/C15H22N2O2S/c1-3-17(4-2)11-10-16-15(19)14-9-8-13(20-14)7-5-6-12-18/h8-9,18H,3-4,6,10-12H2,1-2H3,(H,16,19)
InChIKeyXHGYDSKZZXMFSX-UHFFFAOYSA-N
XLogP1.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.55
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-[3-(diethylamino)propyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075095
N-[2-(dimethylsulfamoyl)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106342113
N,N-diethyl-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075799
2-[[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]amino]ethyl carbamate
CID 83204803
5-(4-hydroxybut-1-ynyl)-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 61475907
5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide
CID 61074909
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957
N-(cyclohexylmethyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075104
5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 62842092
5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide
CID 103719320
N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide
CID 63699675
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
CID 63960348

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide (CID 61075989) is N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(C#CCCO)s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The InChIKey is XHGYDSKZZXMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-17(4-2)11-10-16-15(19)14-9-8-13(20-14)7-5-6-12-18/h8-9,18H,3-4,6,10-12H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 61075989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).