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

C14H18F2N4O4S — CID 8771417

IUPAC2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H18F2N4O4S/c1-17-14(22)18-13(21)9-19-4-6-20(7-5-19)25(23,24)12-3-2-10(15)8-11(12)16/h2-3,8H,4-7,9H2,1H3,(H2,17,18,21,22)
InChIKeyOLGIKVDSCUOKBW-UHFFFAOYSA-N
MW376.39 g/mol
LogP-0.27
Rot. Bonds4

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

2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide (PubChem CID 8771417) has the molecular formula C14H18F2N4O4S and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
PubChem CID8771417
Molecular FormulaC14H18F2N4O4S
Molecular Weight376.39 g/mol
Exact Mass376.10
IUPAC Name2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H18F2N4O4S/c1-17-14(22)18-13(21)9-19-4-6-20(7-5-19)25(23,24)12-3-2-10(15)8-11(12)16/h2-3,8H,4-7,9H2,1H3,(H2,17,18,21,22)
InChIKeyOLGIKVDSCUOKBW-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-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 9023338
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8796871
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8771312
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 9349018
N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771590
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide
CID 112796986
tert-butyl 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetate
CID 8771407
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8771395
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8771330
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 26630620
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771474

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide (CID 8771417) is 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The InChIKey is OLGIKVDSCUOKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O4S/c1-17-14(22)18-13(21)9-19-4-6-20(7-5-19)25(23,24)12-3-2-10(15)8-11(12)16/h2-3,8H,4-7,9H2,1H3,(H2,17,18,21,22).
What are the key properties of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide?
2-[4-(2,4-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-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 8771417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).