N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide

C15H13NO3S — CID 110741734

IUPACN-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC1CC1c1cccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO3S/c17-15(9-3-4-12-13(6-9)19-8-18-12)16-11-7-10(11)14-2-1-5-20-14/h1-6,10-11H,7-8H2,(H,16,17)
InChIKeySGFGLZYQCZGHDR-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.76
Rot. Bonds3

About N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide

N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 110741734) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide
PubChem CID110741734
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC NameN-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC1CC1c1cccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO3S/c17-15(9-3-4-12-13(6-9)19-8-18-12)16-11-7-10(11)14-2-1-5-20-14/h1-6,10-11H,7-8H2,(H,16,17)
InChIKeySGFGLZYQCZGHDR-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711228
3-methoxy-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711234
N-[2-oxo-2-[(5-thiophen-2-ylpyrazolidin-3-yl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 75265932
N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide
CID 123140654
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45087059
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,3-benzodioxole-5-carboxamide
CID 97039811
2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide
CID 110741738
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
CID 61238980
N-(2-thiophen-2-ylcyclopropyl)pyrazine-2-carboxamide
CID 110741726
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1,3-benzodioxole-5-carboxamide
CID 9118142
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71803346

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide (CID 110741734) is N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide is O=C(NC1CC1c1cccs1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is SGFGLZYQCZGHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-15(9-3-4-12-13(6-9)19-8-18-12)16-11-7-10(11)14-2-1-5-20-14/h1-6,10-11H,7-8H2,(H,16,17).
What are the key properties of N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide?
N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110741734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).