2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C24H31F2N3O3S — CID 27182616

IUPAC2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H31F2N3O3S/c1-16(2)19-6-5-7-20(17(3)4)24(19)27-23(30)15-28-10-12-29(13-11-28)33(31,32)18-8-9-21(25)22(26)14-18/h5-9,14,16-17H,10-13,15H2,1-4H3,(H,27,30)
InChIKeyOVQYYWQUXOWLJJ-UHFFFAOYSA-N
MW479.59 g/mol
LogP4.16
Rot. Bonds7

About 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 27182616) has the molecular formula C24H31F2N3O3S and a molecular weight of 479.59 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID27182616
Molecular FormulaC24H31F2N3O3S
Molecular Weight479.59 g/mol
Exact Mass479.21
IUPAC Name2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H31F2N3O3S/c1-16(2)19-6-5-7-20(17(3)4)24(19)27-23(30)15-28-10-12-29(13-11-28)33(31,32)18-8-9-21(25)22(26)14-18/h5-9,14,16-17H,10-13,15H2,1-4H3,(H,27,30)
InChIKeyOVQYYWQUXOWLJJ-UHFFFAOYSA-N
XLogP4.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 40752368
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26573911
N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010761
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8966850
N-(3-chloro-2-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31631258
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 4828514
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 17390954
N-(2-chloro-4-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27182446
N-(2,6-dimethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902945
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655486
N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 30172353
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 27182616) is 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is OVQYYWQUXOWLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N3O3S/c1-16(2)19-6-5-7-20(17(3)4)24(19)27-23(30)15-28-10-12-29(13-11-28)33(31,32)18-8-9-21(25)22(26)14-18/h5-9,14,16-17H,10-13,15H2,1-4H3,(H,27,30).
What are the key properties of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 479.59 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 27182616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).