2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide

C14H18F2N4O4S — CID 9023338

IUPAC2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H18F2N4O4S/c1-17-14(22)18-12(21)9-19-5-7-20(8-6-19)25(23,24)13-10(15)3-2-4-11(13)16/h2-4H,5-9H2,1H3,(H2,17,18,21,22)
InChIKeyHITJFWOVVHHLRM-UHFFFAOYSA-N
MW376.39 g/mol
LogP-0.27
Rot. Bonds4

About 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide

2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide (PubChem CID 9023338) has the molecular formula C14H18F2N4O4S and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
PubChem CID9023338
Molecular FormulaC14H18F2N4O4S
Molecular Weight376.39 g/mol
Exact Mass376.10
IUPAC Name2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H18F2N4O4S/c1-17-14(22)18-12(21)9-19-5-7-20(8-6-19)25(23,24)13-10(15)3-2-4-11(13)16/h2-4H,5-9H2,1H3,(H2,17,18,21,22)
InChIKeyHITJFWOVVHHLRM-UHFFFAOYSA-N
XLogP-0.27
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 8771417
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 9349018
N-(methylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8743046
2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide
CID 103299364
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8749312
2-[4-(2,6-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 35386227
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 38079687
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16576216
N-(cyclopentylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8749172
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644
2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
CID 31338650
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 26630620

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide (CID 9023338) is 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The InChIKey is HITJFWOVVHHLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O4S/c1-17-14(22)18-12(21)9-19-5-7-20(8-6-19)25(23,24)13-10(15)3-2-4-11(13)16/h2-4H,5-9H2,1H3,(H2,17,18,21,22).
What are the key properties of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide?
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide has a molecular weight of 376.39 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 9023338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).