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

C15H17N3O4S2 — CID 90625592

IUPAC4-methoxy-3-methyl-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)cc1C
InChIInChI=1S/C15H17N3O4S2/c1-9-8-10(5-6-12(9)22-2)24(20,21)18-15-17-11-4-3-7-16-14(19)13(11)23-15/h5-6,8H,3-4,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFVOJWQJORFLQMV-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.94
Rot. Bonds4

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

4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide (PubChem CID 90625592) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
PubChem CID90625592
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC Name4-methoxy-3-methyl-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)cc1C
InChIInChI=1S/C15H17N3O4S2/c1-9-8-10(5-6-12(9)22-2)24(20,21)18-15-17-11-4-3-7-16-14(19)13(11)23-15/h5-6,8H,3-4,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFVOJWQJORFLQMV-UHFFFAOYSA-N
XLogP1.94
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625591
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
2,4-dimethyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625598
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
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide
CID 90625661
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 28690712
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
1-(2,3-dimethoxyphenyl)-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
CID 90625551
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide (CID 90625592) is 4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-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)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide?
The InChIKey is FVOJWQJORFLQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c1-9-8-10(5-6-12(9)22-2)24(20,21)18-15-17-11-4-3-7-16-14(19)13(11)23-15/h5-6,8H,3-4,7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide?
4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide has a molecular weight of 367.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide is sourced from PubChem (CID 90625592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).