[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C20H26N3O3S+ — CID 7041768

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C[NH2+][C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C20H25N3O3S/c21-27(25,26)17-10-8-15(9-11-17)12-13-22-20(24)14-23-19-7-3-5-16-4-1-2-6-18(16)19/h1-2,4,6,8-11,19,23H,3,5,7,12-14H2,(H,22,24)(H2,21,25,26)/p+1/t19-/m1/s1
InChIKeyPUMISFWAEBPNLV-LJQANCHMSA-O
MW388.51 g/mol
LogP0.63
Rot. Bonds7

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 7041768) has the molecular formula C20H26N3O3S+ and a molecular weight of 388.51 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID7041768
Molecular FormulaC20H26N3O3S+
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C[NH2+][C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C20H25N3O3S/c21-27(25,26)17-10-8-15(9-11-17)12-13-22-20(24)14-23-19-7-3-5-16-4-1-2-6-18(16)19/h1-2,4,6,8-11,19,23H,3,5,7,12-14H2,(H,22,24)(H2,21,25,26)/p+1/t19-/m1/s1
InChIKeyPUMISFWAEBPNLV-LJQANCHMSA-O
XLogP0.63
TPSA105.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium with MolForge

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Related Compounds

2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108942543
2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84575707
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7937431
N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 126458568
1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 2650232
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide
CID 97185991
ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108989656
2-piperidin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 119673755
N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089481

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 7041768) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is NS(=O)(=O)c1ccc(CCNC(=O)C[NH2+][C@@H]2CCCc3ccccc32)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is PUMISFWAEBPNLV-LJQANCHMSA-O. The full InChI is InChI=1S/C20H25N3O3S/c21-27(25,26)17-10-8-15(9-11-17)12-13-22-20(24)14-23-19-7-3-5-16-4-1-2-6-18(16)19/h1-2,4,6,8-11,19,23H,3,5,7,12-14H2,(H,22,24)(H2,21,25,26)/p+1/t19-/m1/s1.
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 388.51 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 7041768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).