N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C15H19NO2S — CID 63996180

IUPACN-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C15H19NO2S/c1-2-12(10-11-5-6-11)16-15(18)14-8-7-13(19-14)4-3-9-17/h7-8,11-12,17H,2,5-6,9-10H2,1H3,(H,16,18)
InChIKeyIUFARPAAYFHWLV-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.40
Rot. Bonds5

About N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 63996180) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID63996180
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C15H19NO2S/c1-2-12(10-11-5-6-11)16-15(18)14-8-7-13(19-14)4-3-9-17/h7-8,11-12,17H,2,5-6,9-10H2,1H3,(H,16,18)
InChIKeyIUFARPAAYFHWLV-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.40
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-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 63996180) is N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is CCC(CC1CC1)NC(=O)c1ccc(C#CCO)s1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is IUFARPAAYFHWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-2-12(10-11-5-6-11)16-15(18)14-8-7-13(19-14)4-3-9-17/h7-8,11-12,17H,2,5-6,9-10H2,1H3,(H,16,18).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 63996180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).