N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide

C16H19N5O3S — CID 1293819

IUPACN-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H19N5O3S/c1-13(22)19-14-3-5-15(6-4-14)25(23,24)21-11-9-20(10-12-21)16-17-7-2-8-18-16/h2-8H,9-12H2,1H3,(H,19,22)
InChIKeyOJPAFMUZSUCRMG-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.95
Rot. Bonds4

About N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide

N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 1293819) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID1293819
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H19N5O3S/c1-13(22)19-14-3-5-15(6-4-14)25(23,24)21-11-9-20(10-12-21)16-17-7-2-8-18-16/h2-8H,9-12H2,1H3,(H,19,22)
InChIKeyOJPAFMUZSUCRMG-UHFFFAOYSA-N
XLogP0.95
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 1293819) is N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is OJPAFMUZSUCRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-13(22)19-14-3-5-15(6-4-14)25(23,24)21-11-9-20(10-12-21)16-17-7-2-8-18-16/h2-8H,9-12H2,1H3,(H,19,22).
What are the key properties of N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 361.43 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 1293819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).