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

C16H23F2N3O3S — CID 26630104

IUPACN-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H23F2N3O3S/c1-2-3-6-19-16(22)12-20-7-9-21(10-8-20)25(23,24)15-11-13(17)4-5-14(15)18/h4-5,11H,2-3,6-10,12H2,1H3,(H,19,22)
InChIKeyTVHWCKLPHMNBTM-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.19
Rot. Bonds7

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

N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 26630104) has the molecular formula C16H23F2N3O3S and a molecular weight of 375.44 g/mol. Its IUPAC name is N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID26630104
Molecular FormulaC16H23F2N3O3S
Molecular Weight375.44 g/mol
Exact Mass375.14
IUPAC NameN-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H23F2N3O3S/c1-2-3-6-19-16(22)12-20-7-9-21(10-8-20)25(23,24)15-11-13(17)4-5-14(15)18/h4-5,11H,2-3,6-10,12H2,1H3,(H,19,22)
InChIKeyTVHWCKLPHMNBTM-UHFFFAOYSA-N
XLogP1.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 17451454
N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 30172353
N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 9023316
N-tert-butyl-2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843472
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8796871
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide
CID 8693160
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 26630779
ethyl 2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetate
CID 52788016
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-pentylacetamide
CID 8687826

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 26630104) is N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is TVHWCKLPHMNBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3S/c1-2-3-6-19-16(22)12-20-7-9-21(10-8-20)25(23,24)15-11-13(17)4-5-14(15)18/h4-5,11H,2-3,6-10,12H2,1H3,(H,19,22).
What are the key properties of N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 375.44 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 26630104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).