N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

C20H23F2N3O3S — CID 31372732

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C20H23F2N3O3S/c21-17-6-4-16(5-7-17)8-9-23-20(26)15-24-10-12-25(13-11-24)29(27,28)19-3-1-2-18(22)14-19/h1-7,14H,8-13,15H2,(H,23,26)
InChIKeyINFGXPFIOXRQOF-UHFFFAOYSA-N
MW423.49 g/mol
LogP1.63
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 31372732) has the molecular formula C20H23F2N3O3S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID31372732
Molecular FormulaC20H23F2N3O3S
Molecular Weight423.49 g/mol
Exact Mass423.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C20H23F2N3O3S/c21-17-6-4-16(5-7-17)8-9-23-20(26)15-24-10-12-25(13-11-24)29(27,28)19-3-1-2-18(22)14-19/h1-7,14H,8-13,15H2,(H,23,26)
InChIKeyINFGXPFIOXRQOF-UHFFFAOYSA-N
XLogP1.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 9023316
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 27185871
N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 35096313
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
N-[(2-chlorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217730
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 31990964
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26574095
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N-[2-(3-fluorophenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26996547
N-(5-chloro-2-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801526
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]acetamide
CID 55362361

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 31372732) is N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is INFGXPFIOXRQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3S/c21-17-6-4-16(5-7-17)8-9-23-20(26)15-24-10-12-25(13-11-24)29(27,28)19-3-1-2-18(22)14-19/h1-7,14H,8-13,15H2,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 423.49 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 31372732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).