3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

C17H21N3O5S3 — CID 90532543

IUPAC3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2C1
InChIInChI=1S/C17H21N3O5S3/c1-2-28(24,25)20-10-8-14-15(12-20)26-17(18-14)19-16(21)9-11-27(22,23)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,19,21)
InChIKeyOCCRUUWAXXSODE-UHFFFAOYSA-N
MW443.57 g/mol
LogP1.65
Rot. Bonds7

About 3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (PubChem CID 90532543) has the molecular formula C17H21N3O5S3 and a molecular weight of 443.57 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
PubChem CID90532543
Molecular FormulaC17H21N3O5S3
Molecular Weight443.57 g/mol
Exact Mass443.06
IUPAC Name3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2C1
InChIInChI=1S/C17H21N3O5S3/c1-2-28(24,25)20-10-8-14-15(12-20)26-17(18-14)19-16(21)9-11-27(22,23)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,19,21)
InChIKeyOCCRUUWAXXSODE-UHFFFAOYSA-N
XLogP1.65
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 5310254
3-(benzenesulfonyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide
CID 7189633
2-bromo-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532446
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
CID 90532486
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide
CID 50832388
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide
CID 90532385
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758
1-tert-butyl-3-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 90532572
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(trifluoromethyl)benzamide
CID 90532456
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide
CID 50832495
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide
CID 90532343
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 90532526

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (CID 90532543) is 3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is CCS(=O)(=O)N1CCc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2C1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The InChIKey is OCCRUUWAXXSODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S3/c1-2-28(24,25)20-10-8-14-15(12-20)26-17(18-14)19-16(21)9-11-27(22,23)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,19,21).
What are the key properties of 3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide has a molecular weight of 443.57 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is sourced from PubChem (CID 90532543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).