2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide

C18H25F2N3O4S — CID 49073422

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C18H25F2N3O4S/c1-13(24)14-3-5-16(6-4-14)28(26,27)22(2)12-18(25)21-15-7-9-23(10-8-15)11-17(19)20/h3-6,15,17H,7-12H2,1-2H3,(H,21,25)
InChIKeyFJDVTTDAZDRKQS-UHFFFAOYSA-N
MW417.48 g/mol
LogP1.36
Rot. Bonds8

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide (PubChem CID 49073422) has the molecular formula C18H25F2N3O4S and a molecular weight of 417.48 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
PubChem CID49073422
Molecular FormulaC18H25F2N3O4S
Molecular Weight417.48 g/mol
Exact Mass417.15
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C18H25F2N3O4S/c1-13(24)14-3-5-16(6-4-14)28(26,27)22(2)12-18(25)21-15-7-9-23(10-8-15)11-17(19)20/h3-6,15,17H,7-12H2,1-2H3,(H,21,25)
InChIKeyFJDVTTDAZDRKQS-UHFFFAOYSA-N
XLogP1.36
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]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-acetylphenyl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55961219
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 9091175
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide
CID 49074013
tert-butyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]piperidine-1-carboxylate
CID 55984259
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide
CID 56800917
N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide
CID 47079939
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide
CID 52510634

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide (CID 49073422) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(CC(F)F)CC2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide?
The InChIKey is FJDVTTDAZDRKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O4S/c1-13(24)14-3-5-16(6-4-14)28(26,27)22(2)12-18(25)21-15-7-9-23(10-8-15)11-17(19)20/h3-6,15,17H,7-12H2,1-2H3,(H,21,25).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide has a molecular weight of 417.48 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 49073422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).