4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C23H22N4O4S2 — CID 25042139

IUPAC4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)c3sc4nc5c(cc4c3N)CC(C)CC5)cc2)no1
InChIInChI=1S/C23H22N4O4S2/c1-12-3-8-18-15(9-12)11-17-20(24)22(32-23(17)25-18)21(28)14-4-6-16(7-5-14)33(29,30)27-19-10-13(2)31-26-19/h4-7,10-12H,3,8-9,24H2,1-2H3,(H,26,27)
InChIKeyKRJRYHYQEHUZJS-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.33
Rot. Bonds5

About 4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 25042139) has the molecular formula C23H22N4O4S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID25042139
Molecular FormulaC23H22N4O4S2
Molecular Weight482.59 g/mol
Exact Mass482.11
IUPAC Name4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)c3sc4nc5c(cc4c3N)CC(C)CC5)cc2)no1
InChIInChI=1S/C23H22N4O4S2/c1-12-3-8-18-15(9-12)11-17-20(24)22(32-23(17)25-18)21(28)14-4-6-16(7-5-14)33(29,30)27-19-10-13(2)31-26-19/h4-7,10-12H,3,8-9,24H2,1-2H3,(H,26,27)
InChIKeyKRJRYHYQEHUZJS-UHFFFAOYSA-N
XLogP4.33
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 25042139) is 4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(=O)c3sc4nc5c(cc4c3N)CC(C)CC5)cc2)no1.
What is the InChIKey of 4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is KRJRYHYQEHUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S2/c1-12-3-8-18-15(9-12)11-17-20(24)22(32-23(17)25-18)21(28)14-4-6-16(7-5-14)33(29,30)27-19-10-13(2)31-26-19/h4-7,10-12H,3,8-9,24H2,1-2H3,(H,26,27).
What are the key properties of 4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 482.59 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 25042139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).