N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C18H15ClFN3O3S2 — CID 26066021

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc(-c2ccccc2Cl)cs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3O3S2/c1-23(28(25,26)13-8-6-12(20)7-9-13)10-17(24)22-18-21-16(11-27-18)14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,21,22,24)
InChIKeyKVPKUGSSZORBNE-UHFFFAOYSA-N
MW439.92 g/mol
LogP3.86
Rot. Bonds6

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 26066021) has the molecular formula C18H15ClFN3O3S2 and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID26066021
Molecular FormulaC18H15ClFN3O3S2
Molecular Weight439.92 g/mol
Exact Mass439.02
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc(-c2ccccc2Cl)cs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3O3S2/c1-23(28(25,26)13-8-6-12(20)7-9-13)10-17(24)22-18-21-16(11-27-18)14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,21,22,24)
InChIKeyKVPKUGSSZORBNE-UHFFFAOYSA-N
XLogP3.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2093950
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 60551837
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 31288135
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2481850
2-(2-chlorophenyl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55661964
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 9339527
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 52651915
N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 27649348
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7959047
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196694

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 26066021) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1nc(-c2ccccc2Cl)cs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is KVPKUGSSZORBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S2/c1-23(28(25,26)13-8-6-12(20)7-9-13)10-17(24)22-18-21-16(11-27-18)14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,21,22,24).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 439.92 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 26066021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).