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

C16H13FN2O3S3 — CID 78852488

IUPACN-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1csc(-c2cccs2)n1)Nc1ccccc1F
InChIInChI=1S/C16H13FN2O3S3/c17-12-4-1-2-5-13(12)19-15(20)10-25(21,22)9-11-8-24-16(18-11)14-6-3-7-23-14/h1-8H,9-10H2,(H,19,20)
InChIKeyKLFSYAMQEHWSCB-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.56
Rot. Bonds6

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

N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide (PubChem CID 78852488) has the molecular formula C16H13FN2O3S3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide
PubChem CID78852488
Molecular FormulaC16H13FN2O3S3
Molecular Weight396.49 g/mol
Exact Mass396.01
IUPAC NameN-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1csc(-c2cccs2)n1)Nc1ccccc1F
InChIInChI=1S/C16H13FN2O3S3/c17-12-4-1-2-5-13(12)19-15(20)10-25(21,22)9-11-8-24-16(18-11)14-6-3-7-23-14/h1-8H,9-10H2,(H,19,20)
InChIKeyKLFSYAMQEHWSCB-UHFFFAOYSA-N
XLogP3.56
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 55378695
N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide
CID 78882457
N-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254206
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide
CID 110450485
N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 17418739
1-phenyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 2738760
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46589853
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505147
N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603565
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 42058383

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide (CID 78852488) is N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide is O=C(CS(=O)(=O)Cc1csc(-c2cccs2)n1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide?
The InChIKey is KLFSYAMQEHWSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S3/c17-12-4-1-2-5-13(12)19-15(20)10-25(21,22)9-11-8-24-16(18-11)14-6-3-7-23-14/h1-8H,9-10H2,(H,19,20).
What are the key properties of N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide?
N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 78852488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).