N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide

C14H17NOS — CID 123668523

IUPACN-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide
SMILESC#CC(NC(=O)c1ccsc1)C1CCCCC1
InChIInChI=1S/C14H17NOS/c1-2-13(11-6-4-3-5-7-11)15-14(16)12-8-9-17-10-12/h1,8-11,13H,3-7H2,(H,15,16)
InChIKeyVBGSPAHQCFIRHJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.06
Rot. Bonds3

About N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide

N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide (PubChem CID 123668523) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide
PubChem CID123668523
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide
SMILESC#CC(NC(=O)c1ccsc1)C1CCCCC1
InChIInChI=1S/C14H17NOS/c1-2-13(11-6-4-3-5-7-11)15-14(16)12-8-9-17-10-12/h1,8-11,13H,3-7H2,(H,15,16)
InChIKeyVBGSPAHQCFIRHJ-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-cyclohexyl-2-hydroxyethyl]thiophene-3-carboxamide
CID 95292148
N-pent-1-yn-3-ylthiophene-3-carboxamide
CID 103579364
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119589940
2-cyclohexyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide
CID 90371568
N-[4-cyano-5-(cyclohexylamino)-3,5-dioxopentyl]thiophene-3-carboxamide
CID 87011948
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide
CID 112702176
N-(2-amino-2-cyclopropylethyl)thiophene-3-carboxamide
CID 115301128
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-3-carboxamide
CID 24871869
N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide
CID 138021648
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide?
The IUPAC name of N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide (CID 123668523) is N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide is C#CC(NC(=O)c1ccsc1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide?
The InChIKey is VBGSPAHQCFIRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-2-13(11-6-4-3-5-7-11)15-14(16)12-8-9-17-10-12/h1,8-11,13H,3-7H2,(H,15,16).
What are the key properties of N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide?
N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide has a molecular weight of 247.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide is sourced from PubChem (CID 123668523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).