N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide

C15H23N3O3S — CID 110345252

IUPACN-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
SMILESCN1CCN(S(=O)(=O)CCNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-17-8-10-18(11-9-17)22(20,21)12-7-16-15(19)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,16,19)
InChIKeyOSBIODVGGBYISE-UHFFFAOYSA-N
MW325.43 g/mol
LogP-0.08
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide

N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide (PubChem CID 110345252) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
PubChem CID110345252
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
SMILESCN1CCN(S(=O)(=O)CCNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-17-8-10-18(11-9-17)22(20,21)12-7-16-15(19)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,16,19)
InChIKeyOSBIODVGGBYISE-UHFFFAOYSA-N
XLogP-0.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257
3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide
CID 110343189
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide
CID 110345279
2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
CID 7188820
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42440195
4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343167
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 16809520

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide (CID 110345252) is N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide is CN1CCN(S(=O)(=O)CCNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide?
The InChIKey is OSBIODVGGBYISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-17-8-10-18(11-9-17)22(20,21)12-7-16-15(19)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,16,19).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide?
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide has a molecular weight of 325.43 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide is sourced from PubChem (CID 110345252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).