N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide

C25H19N3O3S2 — CID 22638547

IUPACN-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=c1[nH]c2ccccc2cc1-c1csc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C25H19N3O3S2/c29-24-21(15-19-11-7-8-14-22(19)26-24)23-17-32-25(27-23)28(16-18-9-3-1-4-10-18)33(30,31)20-12-5-2-6-13-20/h1-15,17H,16H2,(H,26,29)
InChIKeyOILZHSNIMGLYCB-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.05
Rot. Bonds6

About N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide

N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 22638547) has the molecular formula C25H19N3O3S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID22638547
Molecular FormulaC25H19N3O3S2
Molecular Weight473.58 g/mol
Exact Mass473.09
IUPAC NameN-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=c1[nH]c2ccccc2cc1-c1csc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C25H19N3O3S2/c29-24-21(15-19-11-7-8-14-22(19)26-24)23-17-32-25(27-23)28(16-18-9-3-1-4-10-18)33(30,31)20-12-5-2-6-13-20/h1-15,17H,16H2,(H,26,29)
InChIKeyOILZHSNIMGLYCB-UHFFFAOYSA-N
XLogP5.05
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide with MolForge

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Related Compounds

3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 10287269
3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 135528630
3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 22638613
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 935269
3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 135443299
3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 10287537
3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 22638521
3-(2,6-diphenyl-4-pyridinyl)-1H-quinolin-2-one
CID 25231803
3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-7-[(3-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 10195836
3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 22638610
3-[4-(4-methylsulfinylphenyl)-1,3-thiazol-2-yl]-1H-quinolin-2-one
CID 142273169
N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 23605192

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 22638547) is N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide is O=c1[nH]c2ccccc2cc1-c1csc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is OILZHSNIMGLYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S2/c29-24-21(15-19-11-7-8-14-22(19)26-24)23-17-32-25(27-23)28(16-18-9-3-1-4-10-18)33(30,31)20-12-5-2-6-13-20/h1-15,17H,16H2,(H,26,29).
What are the key properties of N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 473.58 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(2-oxo-1H-quinolin-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 22638547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).