N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide

C26H31N3O3S — CID 71903024

IUPACN-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCC(NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc(C)cc1
InChIInChI=1S/C26H31N3O3S/c1-3-25(22-10-8-20(2)9-11-22)27-26(30)19-28-14-16-29(17-15-28)33(31,32)24-13-12-21-6-4-5-7-23(21)18-24/h4-13,18,25H,3,14-17,19H2,1-2H3,(H,27,30)
InChIKeyBSHMLCGFOWQRNK-UHFFFAOYSA-N
MW465.62 g/mol
LogP3.72
Rot. Bonds7

About N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide

N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 71903024) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID71903024
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCC(NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc(C)cc1
InChIInChI=1S/C26H31N3O3S/c1-3-25(22-10-8-20(2)9-11-22)27-26(30)19-28-14-16-29(17-15-28)33(31,32)24-13-12-21-6-4-5-7-23(21)18-24/h4-13,18,25H,3,14-17,19H2,1-2H3,(H,27,30)
InChIKeyBSHMLCGFOWQRNK-UHFFFAOYSA-N
XLogP3.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745531
N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide
CID 8692331
N-(methylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8743046
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8743501
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99131768
1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine
CID 8692259
N-[(2R)-butan-2-yl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758170
2-chloro-N-[(1S)-1-(4-methylphenyl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969452
2-methyl-N-[1-(4-methylphenyl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875457
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9104805
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55680186
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 94012354

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 71903024) is N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide is CCC(NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is BSHMLCGFOWQRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-3-25(22-10-8-20(2)9-11-22)27-26(30)19-28-14-16-29(17-15-28)33(31,32)24-13-12-21-6-4-5-7-23(21)18-24/h4-13,18,25H,3,14-17,19H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 465.62 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71903024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).