3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide

C15H17N3O5S2 — CID 90625591

IUPAC3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)NCCC3)cc1OC
InChIInChI=1S/C15H17N3O5S2/c1-22-11-6-5-9(8-12(11)23-2)25(20,21)18-15-17-10-4-3-7-16-14(19)13(10)24-15/h5-6,8H,3-4,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKBDMXOCHXAHXNE-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.64
Rot. Bonds5

About 3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide

3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide (PubChem CID 90625591) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
PubChem CID90625591
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Name3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)NCCC3)cc1OC
InChIInChI=1S/C15H17N3O5S2/c1-22-11-6-5-9(8-12(11)23-2)25(20,21)18-15-17-10-4-3-7-16-14(19)13(10)24-15/h5-6,8H,3-4,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKBDMXOCHXAHXNE-UHFFFAOYSA-N
XLogP1.64
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625592
3,4-dimethyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625600
methyl 4-[(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)sulfamoyl]benzoate
CID 90625648
4-ethyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625638
4-cyano-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625668
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
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
1-(2,3-dimethoxyphenyl)-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
CID 90625551
3,4-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100759457
3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide (CID 90625591) is 3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)NCCC3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide?
The InChIKey is KBDMXOCHXAHXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-22-11-6-5-9(8-12(11)23-2)25(20,21)18-15-17-10-4-3-7-16-14(19)13(10)24-15/h5-6,8H,3-4,7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide?
3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide has a molecular weight of 383.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide is sourced from PubChem (CID 90625591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).