N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide

C16H23F2N3O3S — CID 30172353

IUPACN-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H23F2N3O3S/c1-2-3-6-19-16(22)12-20-7-9-21(10-8-20)25(23,24)13-4-5-14(17)15(18)11-13/h4-5,11H,2-3,6-10,12H2,1H3,(H,19,22)
InChIKeyUIEAPCZPNKIFGI-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.19
Rot. Bonds7

About N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide

N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 30172353) has the molecular formula C16H23F2N3O3S and a molecular weight of 375.44 g/mol. Its IUPAC name is N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID30172353
Molecular FormulaC16H23F2N3O3S
Molecular Weight375.44 g/mol
Exact Mass375.14
IUPAC NameN-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H23F2N3O3S/c1-2-3-6-19-16(22)12-20-7-9-21(10-8-20)25(23,24)13-4-5-14(17)15(18)11-13/h4-5,11H,2-3,6-10,12H2,1H3,(H,19,22)
InChIKeyUIEAPCZPNKIFGI-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

N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 9023316
N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26630104
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide
CID 8693160
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylacetamide
CID 4828148
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 40752368
N-butyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperazin-1-yl]acetamide
CID 28533821
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-butylacetamide
CID 55354283
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 17390954
N-ethyl-2-[4-(3-fluoro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 60539728
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30171977
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 26574101

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 30172353) is N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is UIEAPCZPNKIFGI-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)13-4-5-14(17)15(18)11-13/h4-5,11H,2-3,6-10,12H2,1H3,(H,19,22).
What are the key properties of N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-butyl-2-[4-(3,4-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-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 30172353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).