N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide

C16H23F2N3O3S — CID 46572180

IUPACN-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C16H23F2N3O3S/c1-3-12(2)19-16(22)11-20-4-6-21(7-5-20)25(23,24)15-9-13(17)8-14(18)10-15/h8-10,12H,3-7,11H2,1-2H3,(H,19,22)
InChIKeyBKDZUOZNXJYFBT-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.19
Rot. Bonds6

About N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 46572180) has the molecular formula C16H23F2N3O3S and a molecular weight of 375.44 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID46572180
Molecular FormulaC16H23F2N3O3S
Molecular Weight375.44 g/mol
Exact Mass375.14
IUPAC NameN-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C16H23F2N3O3S/c1-3-12(2)19-16(22)11-20-4-6-21(7-5-20)25(23,24)15-9-13(17)8-14(18)10-15/h8-10,12H,3-7,11H2,1-2H3,(H,19,22)
InChIKeyBKDZUOZNXJYFBT-UHFFFAOYSA-N
XLogP1.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

N-[(2R)-butan-2-yl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758170
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-butan-2-ylacetamide
CID 46572120
N-butan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 42913680
N-[(2R)-butan-2-yl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747785
2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide
CID 37308319
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744101
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 40752368
N-[(2R)-butan-2-yl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9023311
N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393707
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8746936
N-[(2S)-pentan-2-yl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 8749052
N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 9023316

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 46572180) is N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is BKDZUOZNXJYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3S/c1-3-12(2)19-16(22)11-20-4-6-21(7-5-20)25(23,24)15-9-13(17)8-14(18)10-15/h8-10,12H,3-7,11H2,1-2H3,(H,19,22).
What are the key properties of N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 375.44 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 46572180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).