3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide

C14H14N2O3S — CID 61092118

IUPAC3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H14N2O3S/c15-10-4-7-20-13(10)14(17)16-9-2-3-11-12(8-9)19-6-1-5-18-11/h2-4,7-8H,1,5-6,15H2,(H,16,17)
InChIKeyCQBWJSJWQRFEQC-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.74
Rot. Bonds2

About 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide

3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide (PubChem CID 61092118) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide
PubChem CID61092118
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H14N2O3S/c15-10-4-7-20-13(10)14(17)16-9-2-3-11-12(8-9)19-6-1-5-18-11/h2-4,7-8H,1,5-6,15H2,(H,16,17)
InChIKeyCQBWJSJWQRFEQC-UHFFFAOYSA-N
XLogP2.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-propan-2-ylthiophene-2-carboxamide
CID 60567376
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 47220492
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-2-carboxamide
CID 104740829
6-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151460
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151458
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide
CID 115285855
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9453653
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
CID 16769727
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 91497694
3-amino-4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 61095483
3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 61110951
4-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080864

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide (CID 61092118) is 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide is Nc1ccsc1C(=O)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide?
The InChIKey is CQBWJSJWQRFEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c15-10-4-7-20-13(10)14(17)16-9-2-3-11-12(8-9)19-6-1-5-18-11/h2-4,7-8H,1,5-6,15H2,(H,16,17).
What are the key properties of 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide?
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide is sourced from PubChem (CID 61092118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).