2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide

C19H19F3N4O4S — CID 26630620

IUPAC2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C19H19F3N4O4S/c20-13-5-6-15(22)17(11-13)31(29,30)26-9-7-25(8-10-26)12-18(27)24-19(28)23-16-4-2-1-3-14(16)21/h1-6,11H,7-10,12H2,(H2,23,24,27,28)
InChIKeyASSXVCJLLULHRK-UHFFFAOYSA-N
MW456.45 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide

2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide (PubChem CID 26630620) has the molecular formula C19H19F3N4O4S and a molecular weight of 456.45 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
PubChem CID26630620
Molecular FormulaC19H19F3N4O4S
Molecular Weight456.45 g/mol
Exact Mass456.11
IUPAC Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C19H19F3N4O4S/c20-13-5-6-15(22)17(11-13)31(29,30)26-9-7-25(8-10-26)12-18(27)24-19(28)23-16-4-2-1-3-14(16)21/h1-6,11H,7-10,12H2,(H2,23,24,27,28)
InChIKeyASSXVCJLLULHRK-UHFFFAOYSA-N
XLogP1.76
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8771312
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8796871
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 17451454
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 8771417
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 26630779
N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26630104
N-tert-butyl-2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843472
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8530111
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8688461
N-(cyclopentylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8749172

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide (CID 26630620) is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide is O=C(CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)NC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The InChIKey is ASSXVCJLLULHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4S/c20-13-5-6-15(22)17(11-13)31(29,30)26-9-7-25(8-10-26)12-18(27)24-19(28)23-16-4-2-1-3-14(16)21/h1-6,11H,7-10,12H2,(H2,23,24,27,28).
What are the key properties of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide has a molecular weight of 456.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 26630620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).