N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide

C20H21F2N3O4S2 — CID 41275014

IUPACN-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C20H21F2N3O4S2/c1-14(26)23-16-3-5-17(6-4-16)30-13-20(27)24-8-10-25(11-9-24)31(28,29)19-12-15(21)2-7-18(19)22/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyVWNHMBQLSXOBFV-UHFFFAOYSA-N
MW469.54 g/mol
LogP2.55
Rot. Bonds6

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

N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 41275014) has the molecular formula C20H21F2N3O4S2 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID41275014
Molecular FormulaC20H21F2N3O4S2
Molecular Weight469.54 g/mol
Exact Mass469.09
IUPAC NameN-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C20H21F2N3O4S2/c1-14(26)23-16-3-5-17(6-4-16)30-13-20(27)24-8-10-25(11-9-24)31(28,29)19-12-15(21)2-7-18(19)22/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyVWNHMBQLSXOBFV-UHFFFAOYSA-N
XLogP2.55
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 27783595
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 8819417
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
CID 26756892
2-(4-chlorophenyl)sulfanyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 18164606
2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4816176
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone
CID 32912403
(Z)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpent-2-en-1-one
CID 55641491
2-(3,4-difluorophenyl)sulfanyl-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 31794123
N-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 2421922
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9371091
1-[4-(5-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817392
1-[4-(5-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817241

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide (CID 41275014) is N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is VWNHMBQLSXOBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O4S2/c1-14(26)23-16-3-5-17(6-4-16)30-13-20(27)24-8-10-25(11-9-24)31(28,29)19-12-15(21)2-7-18(19)22/h2-7,12H,8-11,13H2,1H3,(H,23,26).
What are the key properties of N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 469.54 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 41275014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).