N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide

C23H22FN5O3S2 — CID 118077653

IUPACN-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)NCc2cccc(-c3cncn3CCc3ccc(F)cc3)c2)s1
InChIInChI=1S/C23H22FN5O3S2/c1-16(30)28-23-26-14-22(33-23)34(31,32)27-12-18-3-2-4-19(11-18)21-13-25-15-29(21)10-9-17-5-7-20(24)8-6-17/h2-8,11,13-15,27H,9-10,12H2,1H3,(H,26,28,30)
InChIKeyNYVZCPNHQMKGCG-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.83
Rot. Bonds9

About N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 118077653) has the molecular formula C23H22FN5O3S2 and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID118077653
Molecular FormulaC23H22FN5O3S2
Molecular Weight499.59 g/mol
Exact Mass499.11
IUPAC NameN-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)NCc2cccc(-c3cncn3CCc3ccc(F)cc3)c2)s1
InChIInChI=1S/C23H22FN5O3S2/c1-16(30)28-23-26-14-22(33-23)34(31,32)27-12-18-3-2-4-19(11-18)21-13-25-15-29(21)10-9-17-5-7-20(24)8-6-17/h2-8,11,13-15,27H,9-10,12H2,1H3,(H,26,28,30)
InChIKeyNYVZCPNHQMKGCG-UHFFFAOYSA-N
XLogP3.83
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-[4-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 118077639
N-[5-[[8-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide;8-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline
CID 158890953
3-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]benzoic acid
CID 104538249
N-[5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122252853
5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid
CID 167476265
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 107230342
N-[5-[5-[(3-fluorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 59362182
(1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine
CID 125466541
N-[5-[(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 119101378
2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174821930
5-[3-[[(4-fluorophenyl)methylamino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 44523787
3-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-2-methylpropanoic acid
CID 166380098

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 118077653) is N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)NCc2cccc(-c3cncn3CCc3ccc(F)cc3)c2)s1.
What is the InChIKey of N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NYVZCPNHQMKGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S2/c1-16(30)28-23-26-14-22(33-23)34(31,32)27-12-18-3-2-4-19(11-18)21-13-25-15-29(21)10-9-17-5-7-20(24)8-6-17/h2-8,11,13-15,27H,9-10,12H2,1H3,(H,26,28,30).
What are the key properties of N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 499.59 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methylsulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 118077653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).