2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

C19H17FN2O4S2 — CID 16799558

IUPAC2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)sc2C)cc1
InChIInChI=1S/C19H17FN2O4S2/c1-12-18(13-3-7-15(26-2)8-4-13)22-19(27-12)21-17(23)11-28(24,25)16-9-5-14(20)6-10-16/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyIZBVFEBRVULVNU-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 16799558) has the molecular formula C19H17FN2O4S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID16799558
Molecular FormulaC19H17FN2O4S2
Molecular Weight420.49 g/mol
Exact Mass420.06
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)sc2C)cc1
InChIInChI=1S/C19H17FN2O4S2/c1-12-18(13-3-7-15(26-2)8-4-13)22-19(27-12)21-17(23)11-28(24,25)16-9-5-14(20)6-10-16/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyIZBVFEBRVULVNU-UHFFFAOYSA-N
XLogP3.68
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 55361701
2-(benzenesulfonyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 7254450
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 16831339
2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16824336
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24524482
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
CID 16799550
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
2-(4-tert-butylphenoxy)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19217804

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 16799558) is 2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)sc2C)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is IZBVFEBRVULVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S2/c1-12-18(13-3-7-15(26-2)8-4-13)22-19(27-12)21-17(23)11-28(24,25)16-9-5-14(20)6-10-16/h3-10H,11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16799558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).