2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

C16H12F2N2O3S2 — CID 167986896

IUPAC2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)Cc3cc(F)ccc3F)sc2c1
InChIInChI=1S/C16H12F2N2O3S2/c1-25(22,23)11-3-5-13-14(8-11)24-16(19-13)20-15(21)7-9-6-10(17)2-4-12(9)18/h2-6,8H,7H2,1H3,(H,19,20,21)
InChIKeyWGUOZJKMWQEPGM-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.16
Rot. Bonds4

About 2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 167986896) has the molecular formula C16H12F2N2O3S2 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID167986896
Molecular FormulaC16H12F2N2O3S2
Molecular Weight382.41 g/mol
Exact Mass382.03
IUPAC Name2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)Cc3cc(F)ccc3F)sc2c1
InChIInChI=1S/C16H12F2N2O3S2/c1-25(22,23)11-3-5-13-14(8-11)24-16(19-13)20-15(21)7-9-6-10(17)2-4-12(9)18/h2-6,8H,7H2,1H3,(H,19,20,21)
InChIKeyWGUOZJKMWQEPGM-UHFFFAOYSA-N
XLogP3.16
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666726
4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 18585976
2-(4-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2059533
(4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate
CID 57422910
2-(4-chlorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 7254630
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 110675287
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 55386561
2-(3-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666779
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide
CID 4674921
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 108787666

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (CID 167986896) is 2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is CS(=O)(=O)c1ccc2nc(NC(=O)Cc3cc(F)ccc3F)sc2c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is WGUOZJKMWQEPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S2/c1-25(22,23)11-3-5-13-14(8-11)24-16(19-13)20-15(21)7-9-6-10(17)2-4-12(9)18/h2-6,8H,7H2,1H3,(H,19,20,21).
What are the key properties of 2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 382.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 167986896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).