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

C23H32N4O3S — CID 39010761

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C23H32N4O3S/c1-17(2)20-8-5-9-21(18(3)4)23(20)25-22(28)16-26-11-13-27(14-12-26)31(29,30)19-7-6-10-24-15-19/h5-10,15,17-18H,11-14,16H2,1-4H3,(H,25,28)
InChIKeyWGYYXFNHJIQSBL-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.27
Rot. Bonds7

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

N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 39010761) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID39010761
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C23H32N4O3S/c1-17(2)20-8-5-9-21(18(3)4)23(20)25-22(28)16-26-11-13-27(14-12-26)31(29,30)19-7-6-10-24-15-19/h5-10,15,17-18H,11-14,16H2,1-4H3,(H,25,28)
InChIKeyWGYYXFNHJIQSBL-UHFFFAOYSA-N
XLogP3.27
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010289
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 27182616
N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 43063731
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
N-(2-cyanoethyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39012931
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46405623
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8966850
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39013390
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655486
N-(2,6-dimethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902945
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide (CID 39010761) is N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is WGYYXFNHJIQSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-17(2)20-8-5-9-21(18(3)4)23(20)25-22(28)16-26-11-13-27(14-12-26)31(29,30)19-7-6-10-24-15-19/h5-10,15,17-18H,11-14,16H2,1-4H3,(H,25,28).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 444.60 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 39010761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).