(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C42H44N8O6S4 — CID 158910956

IUPAC(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1nc(N(C)C(=O)[C@@H]2CCCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O.Cc1nc(N(C)C(=O)[C@H]2CCCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O
InChIInChI=1S/2C21H22N4O3S2/c2*1-13-20(30(22,27)28)29-21(24-13)25(2)19(26)17-7-5-6-14-12-15(9-10-16(14)17)18-8-3-4-11-23-18/h2*3-4,8-12,17H,5-7H2,1-2H3,(H2,22,27,28)/t2*17-/m10/s1
InChIKeyJGQHBKOSVORNDS-QAOGLABXSA-N
MW885.13 g/mol
LogP6.49
Rot. Bonds8

About (1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 158910956) has the molecular formula C42H44N8O6S4 and a molecular weight of 885.13 g/mol. Its IUPAC name is (1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID158910956
Molecular FormulaC42H44N8O6S4
Molecular Weight885.13 g/mol
Exact Mass884.23
IUPAC Name(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1nc(N(C)C(=O)[C@@H]2CCCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O.Cc1nc(N(C)C(=O)[C@H]2CCCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O
InChIInChI=1S/2C21H22N4O3S2/c2*1-13-20(30(22,27)28)29-21(24-13)25(2)19(26)17-7-5-6-14-12-15(9-10-16(14)17)18-8-3-4-11-23-18/h2*3-4,8-12,17H,5-7H2,1-2H3,(H2,22,27,28)/t2*17-/m10/s1
InChIKeyJGQHBKOSVORNDS-QAOGLABXSA-N
XLogP6.49
TPSA212.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.13
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze (1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 158910956) is (1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1nc(N(C)C(=O)[C@@H]2CCCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O.Cc1nc(N(C)C(=O)[C@H]2CCCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O.
What is the InChIKey of (1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is JGQHBKOSVORNDS-QAOGLABXSA-N. The full InChI is InChI=1S/2C21H22N4O3S2/c2*1-13-20(30(22,27)28)29-21(24-13)25(2)19(26)17-7-5-6-14-12-15(9-10-16(14)17)18-8-3-4-11-23-18/h2*3-4,8-12,17H,5-7H2,1-2H3,(H2,22,27,28)/t2*17-/m10/s1.
What are the key properties of (1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 885.13 g/mol, XLogP of 6.49, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 158910956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).