N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

C14H19NO3S — CID 79695876

IUPACN-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1csc(C#CCO)c1
InChIInChI=1S/C14H19NO3S/c1-2-3-6-15(7-9-17)14(18)12-10-13(19-11-12)5-4-8-16/h10-11,16-17H,2-3,6-9H2,1H3
InChIKeyWFTOMPYRGQJDQV-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.33
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (PubChem CID 79695876) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
PubChem CID79695876
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1csc(C#CCO)c1
InChIInChI=1S/C14H19NO3S/c1-2-3-6-15(7-9-17)14(18)12-10-13(19-11-12)5-4-8-16/h10-11,16-17H,2-3,6-9H2,1H3
InChIKeyWFTOMPYRGQJDQV-UHFFFAOYSA-N
XLogP1.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.33
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-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696423
N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816084
5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide
CID 79696521
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 79696540
methyl 4-[[5-(3-hydroxyprop-1-ynyl)thiophene-3-carbonyl]-methylamino]butanoate
CID 79696701
N-heptan-2-yl-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696487
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 79690255
5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79684356
4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65370094
N-butyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075090
N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
CID 79808500
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79694004

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (CID 79695876) is N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is CCCCN(CCO)C(=O)c1csc(C#CCO)c1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The InChIKey is WFTOMPYRGQJDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-2-3-6-15(7-9-17)14(18)12-10-13(19-11-12)5-4-8-16/h10-11,16-17H,2-3,6-9H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is sourced from PubChem (CID 79695876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).