2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

C17H18N2O3S2 — CID 7384624

IUPAC2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3cccs3)cc3c2N1CCC3
InChIInChI=1S/C17H18N2O3S2/c20-16-6-5-13-10-15(9-12-3-1-7-19(16)17(12)13)24(21,22)18-11-14-4-2-8-23-14/h2,4,8-10,18H,1,3,5-7,11H2
InChIKeyXTVJVTQLMDWJPP-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.45
Rot. Bonds4

About 2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (PubChem CID 7384624) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
PubChem CID7384624
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3cccs3)cc3c2N1CCC3
InChIInChI=1S/C17H18N2O3S2/c20-16-6-5-13-10-15(9-12-3-1-7-19(16)17(12)13)24(21,22)18-11-14-4-2-8-23-14/h2,4,8-10,18H,1,3,5-7,11H2
InChIKeyXTVJVTQLMDWJPP-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527121
1-propionyl-N-(thien-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3245271
N-ethyl-N-(2-methylphenyl)-3-oxo-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-sulfonamide
CID 7384637
9-(piperidin-1-ylsulfonyl)-1,2,6,7-tetrahydropyrido[3,2,1-ij]quinolin-3(5H)-one
CID 7527038
3-oxo-N-pentyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-sulfonamide
CID 7384609
N-butyl-N-methyl-3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-sulfonamide
CID 7384610
11-oxo-N-(prop-2-en-1-yl)-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526357
N-(sec-butyl)-3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-sulfonamide
CID 16823324
N-benzyl-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7384399
N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7384615
6-Piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 7526373
N-(2,6-dimethylphenyl)-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7526488

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The IUPAC name of 2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (CID 7384624) is 2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
What is the SMILES notation for 2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The canonical SMILES for 2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCc3cccs3)cc3c2N1CCC3.
What is the InChIKey of 2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The InChIKey is XTVJVTQLMDWJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c20-16-6-5-13-10-15(9-12-3-1-7-19(16)17(12)13)24(21,22)18-11-14-4-2-8-23-14/h2,4,8-10,18H,1,3,5-7,11H2.
What are the key properties of 2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is sourced from PubChem (CID 7384624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).