N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide

C21H17FN4O4S2 — CID 55759563

IUPACN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)n2)c(F)c1
InChIInChI=1S/C21H17FN4O4S2/c1-13(27)24-16-6-7-17(18(22)8-16)19-10-31-21(25-19)26-20(28)12-32(29,30)11-15-4-2-14(9-23)3-5-15/h2-8,10H,11-12H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyZNTOEFDKSDNLCI-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.33
Rot. Bonds7

About N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide (PubChem CID 55759563) has the molecular formula C21H17FN4O4S2 and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
PubChem CID55759563
Molecular FormulaC21H17FN4O4S2
Molecular Weight472.52 g/mol
Exact Mass472.07
IUPAC NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)n2)c(F)c1
InChIInChI=1S/C21H17FN4O4S2/c1-13(27)24-16-6-7-17(18(22)8-16)19-10-31-21(25-19)26-20(28)12-32(29,30)11-15-4-2-14(9-23)3-5-15/h2-8,10H,11-12H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyZNTOEFDKSDNLCI-UHFFFAOYSA-N
XLogP3.33
TPSA129.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 55759302
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 46490267
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide
CID 41486929
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
CID 56549898
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521368
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
CID 55461133
2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 55758548
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
N-[2-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 55649957
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24556479

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide (CID 55759563) is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)n2)c(F)c1.
What is the InChIKey of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The InChIKey is ZNTOEFDKSDNLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4S2/c1-13(27)24-16-6-7-17(18(22)8-16)19-10-31-21(25-19)26-20(28)12-32(29,30)11-15-4-2-14(9-23)3-5-15/h2-8,10H,11-12H2,1H3,(H,24,27)(H,25,26,28).
What are the key properties of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide has a molecular weight of 472.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 55759563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).