N-butyl-5-ethylthiophene-2-carboxamide

C11H17NOS — CID 17190928

IUPACN-butyl-5-ethylthiophene-2-carboxamide
SMILESCCCCNC(=O)c1ccc(CC)s1
InChIInChI=1S/C11H17NOS/c1-3-5-8-12-11(13)10-7-6-9(4-2)14-10/h6-7H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyYJCKVXHYQFLDIB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.84
Rot. Bonds5

About N-butyl-5-ethylthiophene-2-carboxamide

N-butyl-5-ethylthiophene-2-carboxamide (PubChem CID 17190928) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-butyl-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-ethylthiophene-2-carboxamide
PubChem CID17190928
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-butyl-5-ethylthiophene-2-carboxamide
SMILESCCCCNC(=O)c1ccc(CC)s1
InChIInChI=1S/C11H17NOS/c1-3-5-8-12-11(13)10-7-6-9(4-2)14-10/h6-7H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyYJCKVXHYQFLDIB-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-5-ethylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide
CID 4962027
N-cyclohexylthiophene-2-carboxamide
CID 855035
N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023795
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
[5-(Tert-butyl)-2-thienyl](1-pyrrolidinyl)methanone
CID 2741532
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-cyclooctylthiophene-2-carboxamide
CID 673377

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-butyl-5-ethylthiophene-2-carboxamide (CID 17190928) is N-butyl-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-butyl-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-butyl-5-ethylthiophene-2-carboxamide is CCCCNC(=O)c1ccc(CC)s1.
What is the InChIKey of N-butyl-5-ethylthiophene-2-carboxamide?
The InChIKey is YJCKVXHYQFLDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-5-8-12-11(13)10-7-6-9(4-2)14-10/h6-7H,3-5,8H2,1-2H3,(H,12,13).
What are the key properties of N-butyl-5-ethylthiophene-2-carboxamide?
N-butyl-5-ethylthiophene-2-carboxamide has a molecular weight of 211.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 17190928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).