2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide

C16H25N3O3S — CID 31341519

IUPAC2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-3-8-17-16(20)13-18-9-11-19(12-10-18)23(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyUSBVPXFXNXBYSH-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.83
Rot. Bonds6

About 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide (PubChem CID 31341519) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
PubChem CID31341519
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-3-8-17-16(20)13-18-9-11-19(12-10-18)23(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyUSBVPXFXNXBYSH-UHFFFAOYSA-N
XLogP0.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide;dihydrochloride
CID 119501378
4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]butanoic acid
CID 119352613
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30171977
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide
CID 8687525
N-(2-amino-2-ethylbutyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 119641093
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30172111
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide
CID 8693160
2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196399
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8758053
ethyl 4-[4-[2-oxo-2-(pentylamino)ethyl]piperazin-1-yl]sulfonylbenzoate
CID 8819134

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide (CID 31341519) is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The InChIKey is USBVPXFXNXBYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-8-17-16(20)13-18-9-11-19(12-10-18)23(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,17,20).
What are the key properties of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide has a molecular weight of 339.46 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 31341519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).