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

C22H27FN4O4S — CID 3876207

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27FN4O4S/c23-20-6-1-2-7-21(20)26-10-8-25(9-11-26)17-22(28)24-18-4-3-5-19(16-18)32(29,30)27-12-14-31-15-13-27/h1-7,16H,8-15,17H2,(H,24,28)
InChIKeyGHJNVWDRLGKHNQ-UHFFFAOYSA-N
MW462.55 g/mol
LogP1.61
Rot. Bonds6

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 3876207) has the molecular formula C22H27FN4O4S and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID3876207
Molecular FormulaC22H27FN4O4S
Molecular Weight462.55 g/mol
Exact Mass462.17
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27FN4O4S/c23-20-6-1-2-7-21(20)26-10-8-25(9-11-26)17-22(28)24-18-4-3-5-19(16-18)32(29,30)27-12-14-31-15-13-27/h1-7,16H,8-15,17H2,(H,24,28)
InChIKeyGHJNVWDRLGKHNQ-UHFFFAOYSA-N
XLogP1.61
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4818382
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 36846051
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 31628376
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 4837621
N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 8874279
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 16589804
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 18287991
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4577385

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 3876207) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CN1CCN(c2ccccc2F)CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is GHJNVWDRLGKHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O4S/c23-20-6-1-2-7-21(20)26-10-8-25(9-11-26)17-22(28)24-18-4-3-5-19(16-18)32(29,30)27-12-14-31-15-13-27/h1-7,16H,8-15,17H2,(H,24,28).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3876207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).