4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C24H19FN4O3S2 — CID 86662347

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1F
InChIInChI=1S/C24H19FN4O3S2/c25-19-14-17(34(31,32)29-13-5-7-16-6-1-2-9-22(16)29)10-11-18(19)23(30)28-24-27-21(15-33-24)20-8-3-4-12-26-20/h1-4,6,8-12,14-15H,5,7,13H2,(H,27,28,30)
InChIKeyUFCBBGRPUJDVMO-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.74
Rot. Bonds5

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 86662347) has the molecular formula C24H19FN4O3S2 and a molecular weight of 494.57 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID86662347
Molecular FormulaC24H19FN4O3S2
Molecular Weight494.57 g/mol
Exact Mass494.09
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1F
InChIInChI=1S/C24H19FN4O3S2/c25-19-14-17(34(31,32)29-13-5-7-16-6-1-2-9-22(16)29)10-11-18(19)23(30)28-24-27-21(15-33-24)20-8-3-4-12-26-20/h1-4,6,8-12,14-15H,5,7,13H2,(H,27,28,30)
InChIKeyUFCBBGRPUJDVMO-UHFFFAOYSA-N
XLogP4.74
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3466044
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25102342
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 3651034
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 2447288
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(4-ethylcyclohepta-1,3,6-trien-1-yl)-1,3-thiazol-2-yl]benzamide
CID 142892829
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 41163950
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 55341761
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2501912
N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
CID 4170554
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 86662347) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1F.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is UFCBBGRPUJDVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S2/c25-19-14-17(34(31,32)29-13-5-7-16-6-1-2-9-22(16)29)10-11-18(19)23(30)28-24-27-21(15-33-24)20-8-3-4-12-26-20/h1-4,6,8-12,14-15H,5,7,13H2,(H,27,28,30).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 494.57 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 86662347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).