N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide

C13H12N2O3S — CID 43548178

IUPACN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)c1cccs1)OCCO2
InChIInChI=1S/C13H12N2O3S/c14-8-6-10-11(18-4-3-17-10)7-9(8)15-13(16)12-2-1-5-19-12/h1-2,5-7H,3-4,14H2,(H,15,16)
InChIKeyWHNUKWTXUIXWLG-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.35
Rot. Bonds2

About N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide (PubChem CID 43548178) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
PubChem CID43548178
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)c1cccs1)OCCO2
InChIInChI=1S/C13H12N2O3S/c14-8-6-10-11(18-4-3-17-10)7-9(8)15-13(16)12-2-1-5-19-12/h1-2,5-7H,3-4,14H2,(H,15,16)
InChIKeyWHNUKWTXUIXWLG-UHFFFAOYSA-N
XLogP2.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-phenylsulfanylacetamide
CID 2121892
N-(5-methoxy-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 6471687
N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)thiophene-2-carboxamide
CID 2810390
Thiophene-2-carboxylic acid (3-hydroxy-4-methoxy-phenyl)-amide
CID 655048
N-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenecarboxamide
CID 852871
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 1244355
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide
CID 1433190
N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide
CID 2850415

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide (CID 43548178) is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide is Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2.
What is the InChIKey of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The InChIKey is WHNUKWTXUIXWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-8-6-10-11(18-4-3-17-10)7-9(8)15-13(16)12-2-1-5-19-12/h1-2,5-7H,3-4,14H2,(H,15,16).
What are the key properties of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 43548178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).