6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide

C22H23N3O3S — CID 23858453

IUPAC6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
SMILESNc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc3c(cc12)CCCCCC3
InChIInChI=1S/C22H23N3O3S/c23-19-15-11-13-5-3-1-2-4-6-16(13)25-22(15)29-20(19)21(26)24-14-7-8-17-18(12-14)28-10-9-27-17/h7-8,11-12H,1-6,9-10,23H2,(H,24,26)
InChIKeyCKWQUEVHUNUOGX-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.56
Rot. Bonds2

About 6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide

6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide (PubChem CID 23858453) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
PubChem CID23858453
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
SMILESNc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc3c(cc12)CCCCCC3
InChIInChI=1S/C22H23N3O3S/c23-19-15-11-13-5-3-1-2-4-6-16(13)25-22(15)29-20(19)21(26)24-14-7-8-17-18(12-14)28-10-9-27-17/h7-8,11-12H,1-6,9-10,23H2,(H,24,26)
InChIKeyCKWQUEVHUNUOGX-UHFFFAOYSA-N
XLogP4.56
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide with MolForge

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Related Compounds

6-amino-N-pyridin-4-yl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 21232440
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1023419
3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1005081
3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 155927801
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 839017
6-amino-N-(4-methyl-3-nitrophenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23888892
3-amino-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 2059515
6-amino-N-(2-ethylphenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 171133147
6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23916877
6-amino-N-[2,5-dimethoxy-4-(phenylcarbamoyl)phenyl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 171133183
(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone
CID 171133135
3-amino-N-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 155816310

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide?
The IUPAC name of 6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide (CID 23858453) is 6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide.
What is the SMILES notation for 6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide?
The canonical SMILES for 6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide is Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc3c(cc12)CCCCCC3.
What is the InChIKey of 6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide?
The InChIKey is CKWQUEVHUNUOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c23-19-15-11-13-5-3-1-2-4-6-16(13)25-22(15)29-20(19)21(26)24-14-7-8-17-18(12-14)28-10-9-27-17/h7-8,11-12H,1-6,9-10,23H2,(H,24,26).
What are the key properties of 6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide?
6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide is sourced from PubChem (CID 23858453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).