2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide

C20H22F2N4O4S — CID 55410781

IUPAC2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)C(c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H22F2N4O4S/c1-23-20(28)24-19(27)18(14-5-3-2-4-6-14)25-9-11-26(12-10-25)31(29,30)17-13-15(21)7-8-16(17)22/h2-8,13,18H,9-12H2,1H3,(H2,23,24,27,28)
InChIKeyBYLSFAYSMNBLOA-UHFFFAOYSA-N
MW452.48 g/mol
LogP1.47
Rot. Bonds5

About 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide

2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 55410781) has the molecular formula C20H22F2N4O4S and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID55410781
Molecular FormulaC20H22F2N4O4S
Molecular Weight452.48 g/mol
Exact Mass452.13
IUPAC Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)C(c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H22F2N4O4S/c1-23-20(28)24-19(27)18(14-5-3-2-4-6-14)25-9-11-26(12-10-25)31(29,30)17-13-15(21)7-8-16(17)22/h2-8,13,18H,9-12H2,1H3,(H2,23,24,27,28)
InChIKeyBYLSFAYSMNBLOA-UHFFFAOYSA-N
XLogP1.47
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 24679978
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9036697
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
CID 18289403
N-(methylcarbamoyl)-2-morpholin-4-yl-2-phenylacetamide
CID 17441773
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 46631323
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
(2S)-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8797022
(2S)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 41275047
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine
CID 46100949

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide (CID 55410781) is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)C(c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is BYLSFAYSMNBLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4S/c1-23-20(28)24-19(27)18(14-5-3-2-4-6-14)25-9-11-26(12-10-25)31(29,30)17-13-15(21)7-8-16(17)22/h2-8,13,18H,9-12H2,1H3,(H2,23,24,27,28).
What are the key properties of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 452.48 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 55410781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).