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

C12H12FN3O3S2 — CID 2666565

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FN3O3S2/c1-16(8-11(17)15-12-14-6-7-20-12)21(18,19)10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyLDMNTGYSWJICJY-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.54
Rot. Bonds5

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

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2666565) has the molecular formula C12H12FN3O3S2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2666565
Molecular FormulaC12H12FN3O3S2
Molecular Weight329.38 g/mol
Exact Mass329.03
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FN3O3S2/c1-16(8-11(17)15-12-14-6-7-20-12)21(18,19)10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyLDMNTGYSWJICJY-UHFFFAOYSA-N
XLogP1.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide (CID 2666565) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide is CN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LDMNTGYSWJICJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S2/c1-16(8-11(17)15-12-14-6-7-20-12)21(18,19)10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,15,17).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2666565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).