N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide

C16H25N3O3S — CID 110345257

IUPACN-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
SMILESCN1CCN(S(=O)(=O)CCNC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-18-10-12-19(13-11-18)23(21,22)14-9-17-16(20)8-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,17,20)
InChIKeyGGJAJIXSIXINLJ-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.31
Rot. Bonds7

About N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide

N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide (PubChem CID 110345257) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
PubChem CID110345257
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
SMILESCN1CCN(S(=O)(=O)CCNC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-18-10-12-19(13-11-18)23(21,22)14-9-17-16(20)8-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,17,20)
InChIKeyGGJAJIXSIXINLJ-UHFFFAOYSA-N
XLogP0.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide
CID 110343189
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342521
3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42440229
4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
CID 25285439
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide
CID 110345279
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343167
2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
methyl 4-(2-phenylethylsulfonyl)piperazine-1-carboxylate
CID 110818523
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299
4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide (CID 110345257) is N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide is CN1CCN(S(=O)(=O)CCNC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide?
The InChIKey is GGJAJIXSIXINLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18-10-12-19(13-11-18)23(21,22)14-9-17-16(20)8-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide?
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 0.31, 7 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]-3-phenylpropanamide is sourced from PubChem (CID 110345257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).