N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide

C16H21NO2S — CID 2210595

IUPACN-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide
SMILESCC(C)(O)C#Cc1ccc(C(=O)NC2CCCCC2)s1
InChIInChI=1S/C16H21NO2S/c1-16(2,19)11-10-13-8-9-14(20-13)15(18)17-12-6-4-3-5-7-12/h8-9,12,19H,3-7H2,1-2H3,(H,17,18)
InChIKeyBQWSWGQMFURWRS-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.93
Rot. Bonds2

About N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide

N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide (PubChem CID 2210595) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide
PubChem CID2210595
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide
SMILESCC(C)(O)C#Cc1ccc(C(=O)NC2CCCCC2)s1
InChIInChI=1S/C16H21NO2S/c1-16(2,19)11-10-13-8-9-14(20-13)15(18)17-12-6-4-3-5-7-12/h8-9,12,19H,3-7H2,1-2H3,(H,17,18)
InChIKeyBQWSWGQMFURWRS-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide (CID 2210595) is N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide is CC(C)(O)C#Cc1ccc(C(=O)NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide?
The InChIKey is BQWSWGQMFURWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-16(2,19)11-10-13-8-9-14(20-13)15(18)17-12-6-4-3-5-7-12/h8-9,12,19H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide?
N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 2210595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).