N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

C16H17N3O5S2 — CID 90625674

IUPACN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESO=C1NCCCc2nc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)sc21
InChIInChI=1S/C16H17N3O5S2/c20-15-14-11(3-1-6-17-15)18-16(25-14)19-26(21,22)10-4-5-12-13(9-10)24-8-2-7-23-12/h4-5,9H,1-3,6-8H2,(H,17,20)(H,18,19)
InChIKeyIOLILBBJZBWGDN-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.78
Rot. Bonds3

About N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (PubChem CID 90625674) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.

Molecular Properties

Compound NameN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
PubChem CID90625674
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC NameN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESO=C1NCCCc2nc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)sc21
InChIInChI=1S/C16H17N3O5S2/c20-15-14-11(3-1-6-17-15)18-16(25-14)19-26(21,22)10-4-5-12-13(9-10)24-8-2-7-23-12/h4-5,9H,1-3,6-8H2,(H,17,20)(H,18,19)
InChIKeyIOLILBBJZBWGDN-UHFFFAOYSA-N
XLogP1.78
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide with MolForge

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Related Compounds

3,4-dimethyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625600
3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625591
4-cyano-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625668
4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625592
2,4-dimethyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625598
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide
CID 90625661
N-(5-bromo-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60784344
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 21081378
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35539040
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 11703994
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 35993606

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (CID 90625674) is N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.
What is the SMILES notation for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The canonical SMILES for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is O=C1NCCCc2nc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)sc21.
What is the InChIKey of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The InChIKey is IOLILBBJZBWGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c20-15-14-11(3-1-6-17-15)18-16(25-14)19-26(21,22)10-4-5-12-13(9-10)24-8-2-7-23-12/h4-5,9H,1-3,6-8H2,(H,17,20)(H,18,19).
What are the key properties of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide has a molecular weight of 395.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is sourced from PubChem (CID 90625674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).