N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C22H17FN4O3S2 — CID 55912707

IUPACN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O3S2/c23-16-7-9-18(10-8-16)32(29,30)27-20-6-2-1-5-19(20)26-21(28)12-17-14-31-22(25-17)15-4-3-11-24-13-15/h1-11,13-14,27H,12H2,(H,26,28)
InChIKeyGXMMIGFVRKOQFN-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.33
Rot. Bonds7

About N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55912707) has the molecular formula C22H17FN4O3S2 and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55912707
Molecular FormulaC22H17FN4O3S2
Molecular Weight468.54 g/mol
Exact Mass468.07
IUPAC NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O3S2/c23-16-7-9-18(10-8-16)32(29,30)27-20-6-2-1-5-19(20)26-21(28)12-17-14-31-22(25-17)15-4-3-11-24-13-15/h1-11,13-14,27H,12H2,(H,26,28)
InChIKeyGXMMIGFVRKOQFN-UHFFFAOYSA-N
XLogP4.33
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
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N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51206176
N-[2-(benzenesulfonamido)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78847266
tert-butyl N-[4-fluoro-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]carbamate
CID 56571820
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-(4-bromo-2-methylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205873
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 55912707) is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccnc2)n1)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GXMMIGFVRKOQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3S2/c23-16-7-9-18(10-8-16)32(29,30)27-20-6-2-1-5-19(20)26-21(28)12-17-14-31-22(25-17)15-4-3-11-24-13-15/h1-11,13-14,27H,12H2,(H,26,28).
What are the key properties of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 468.54 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55912707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).