N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide

C12H15NO2S — CID 115647257

IUPACN-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide
SMILESC#CCC(CC)NC(=O)c1sccc1OC
InChIInChI=1S/C12H15NO2S/c1-4-6-9(5-2)13-12(14)11-10(15-3)7-8-16-11/h1,7-9H,5-6H2,2-3H3,(H,13,14)
InChIKeyJUDCXQGJUINPSU-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.29
Rot. Bonds5

About N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide

N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide (PubChem CID 115647257) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide
PubChem CID115647257
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC NameN-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide
SMILESC#CCC(CC)NC(=O)c1sccc1OC
InChIInChI=1S/C12H15NO2S/c1-4-6-9(5-2)13-12(14)11-10(15-3)7-8-16-11/h1,7-9H,5-6H2,2-3H3,(H,13,14)
InChIKeyJUDCXQGJUINPSU-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hex-5-yn-3-yl-3-methoxythiophene-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

3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579170
3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide
CID 115647216
N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide
CID 114390087
N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide
CID 115647144
N-hex-5-yn-3-yl-4-methoxythiophene-2-carboxamide
CID 115670893
pent-4-yn-2-yl 3-methoxythiophene-2-carboxylate
CID 71974764
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide
CID 96549835
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 102673854
(2S)-2-[(3-methoxythiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81126687
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
CID 114168687

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide (CID 115647257) is N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide is C#CCC(CC)NC(=O)c1sccc1OC.
What is the InChIKey of N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide?
The InChIKey is JUDCXQGJUINPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-4-6-9(5-2)13-12(14)11-10(15-3)7-8-16-11/h1,7-9H,5-6H2,2-3H3,(H,13,14).
What are the key properties of N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide?
N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide has a molecular weight of 237.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 115647257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).