N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide

C14H15NO2S2 — CID 71781706

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)(c1cccs1)C1CC1)c1cccs1
InChIInChI=1S/C14H15NO2S2/c16-13(11-3-1-7-18-11)15-9-14(17,10-5-6-10)12-4-2-8-19-12/h1-4,7-8,10,17H,5-6,9H2,(H,15,16)
InChIKeyPUHKOWGXQFFIEM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.84
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 71781706) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID71781706
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)(c1cccs1)C1CC1)c1cccs1
InChIInChI=1S/C14H15NO2S2/c16-13(11-3-1-7-18-11)15-9-14(17,10-5-6-10)12-4-2-8-19-12/h1-4,7-8,10,17H,5-6,9H2,(H,15,16)
InChIKeyPUHKOWGXQFFIEM-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
CID 56764199
1-(2-Cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 71781783
N-[(R)-2-cyclopropyl-2-hydroxy-2-(2-thienyl)ethyl]o-(trifluoromethyl)benzamide
CID 95982745
N-[(S)-3-hydroxy-3-(2-thienyl)propyl]-4-methyl-2-thenamide
CID 96350392
N-[(1-hydroxycyclopentyl)methyl]thiophene-2-carboxamide
CID 49670539
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 71781668
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)thiophene-2-carboxamide
CID 71782124
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-4-methylthiophene-2-carboxamide
CID 71782347
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-2-(thiophen-2-yl)acetamide
CID 71782348
N-[3-Hydroxy-3-(thiophen-2-YL)propyl]thiophene-3-carboxamide
CID 71787789
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 71788738
4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide
CID 86264371

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 71781706) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide is O=C(NCC(O)(c1cccs1)C1CC1)c1cccs1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is PUHKOWGXQFFIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c16-13(11-3-1-7-18-11)15-9-14(17,10-5-6-10)12-4-2-8-19-12/h1-4,7-8,10,17H,5-6,9H2,(H,15,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 71781706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).