N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide

C13H11NO3S — CID 2810390

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C13H11NO3S/c15-13(12-2-1-7-18-12)14-9-3-4-10-11(8-9)17-6-5-16-10/h1-4,7-8H,5-6H2,(H,14,15)
InChIKeyPBMZKPGBDXRROD-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.77
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide (PubChem CID 2810390) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
PubChem CID2810390
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C13H11NO3S/c15-13(12-2-1-7-18-12)14-9-3-4-10-11(8-9)17-6-5-16-10/h1-4,7-8H,5-6H2,(H,14,15)
InChIKeyPBMZKPGBDXRROD-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
4-(Acetylamino)phenyl 2-thiophenecarboxylate
CID 128894
N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 670502
N-(Benzo[d][1,3]dioxol-5-yl)thiophene-2-carboxamide
CID 692194
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylsulfanyl)acetamide
CID 2121892
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 2162339
N-(5-methoxy-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 6471687
N-(3-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 898929
N-1,3-benzodioxol-5-yl-5-bromo-2-thiophenecarboxamide
CID 1225746
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4961817

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide (CID 2810390) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccs1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The InChIKey is PBMZKPGBDXRROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-13(12-2-1-7-18-12)14-9-3-4-10-11(8-9)17-6-5-16-10/h1-4,7-8H,5-6H2,(H,14,15).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2810390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).