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

C18H22N4O3S — CID 3247773

IUPACN-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-15(23)20-14-16-5-7-17(8-6-16)26(24,25)22-12-10-21(11-13-22)18-4-2-3-9-19-18/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyVFVGBVPQAQRPJT-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.23
Rot. Bonds5

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

N-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide (PubChem CID 3247773) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide
PubChem CID3247773
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-15(23)20-14-16-5-7-17(8-6-16)26(24,25)22-12-10-21(11-13-22)18-4-2-3-9-19-18/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyVFVGBVPQAQRPJT-UHFFFAOYSA-N
XLogP1.23
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide?
The IUPAC name of N-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide (CID 3247773) is N-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide?
The InChIKey is VFVGBVPQAQRPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-15(23)20-14-16-5-7-17(8-6-16)26(24,25)22-12-10-21(11-13-22)18-4-2-3-9-19-18/h2-9H,10-14H2,1H3,(H,20,23).
What are the key properties of N-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide?
N-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide is sourced from PubChem (CID 3247773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).