N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide

C20H22FN3O4S — CID 9020337

IUPACN-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide
SMILESCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C20H22FN3O4S/c1-29(27,28)18-7-2-4-15(12-18)20(26)24-10-8-23(9-11-24)14-19(25)22-17-6-3-5-16(21)13-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,25)
InChIKeyQEDRKICTHNMBSG-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.63
Rot. Bonds5

About N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 9020337) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide
PubChem CID9020337
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC NameN-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide
SMILESCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C20H22FN3O4S/c1-29(27,28)18-7-2-4-15(12-18)20(26)24-10-8-23(9-11-24)14-19(25)22-17-6-3-5-16(21)13-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,25)
InChIKeyQEDRKICTHNMBSG-UHFFFAOYSA-N
XLogP1.63
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 8680067
N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 9020291
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 26630779
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020095
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide (CID 9020337) is N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide is CS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is QEDRKICTHNMBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-29(27,28)18-7-2-4-15(12-18)20(26)24-10-8-23(9-11-24)14-19(25)22-17-6-3-5-16(21)13-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,25).
What are the key properties of N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9020337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).