N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide

C18H22N4O3S — CID 1341058

IUPACN-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-15(23)20-17-2-4-18(5-3-17)26(24,25)22-12-10-21(11-13-22)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyVABKGTKCKZQGGK-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.55
Rot. Bonds5

About N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 1341058) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID1341058
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-15(23)20-17-2-4-18(5-3-17)26(24,25)22-12-10-21(11-13-22)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyVABKGTKCKZQGGK-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 1341058) is N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is VABKGTKCKZQGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-15(23)20-17-2-4-18(5-3-17)26(24,25)22-12-10-21(11-13-22)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3,(H,20,23).
What are the key properties of N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 1.55, 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-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 1341058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).