N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide

C24H27N3O3S — CID 108736162

IUPACN-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(CNC(=O)Cc3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C24H27N3O3S/c1-26-13-15-27(16-14-26)31(29,30)22-11-9-19(10-12-22)18-25-24(28)17-21-7-4-6-20-5-2-3-8-23(20)21/h2-12H,13-18H2,1H3,(H,25,28)
InChIKeyZIBSMJYQRAGFNY-UHFFFAOYSA-N
MW437.57 g/mol
LogP2.63
Rot. Bonds6

About N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide

N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide (PubChem CID 108736162) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide
PubChem CID108736162
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(CNC(=O)Cc3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C24H27N3O3S/c1-26-13-15-27(16-14-26)31(29,30)22-11-9-19(10-12-22)18-25-24(28)17-21-7-4-6-20-5-2-3-8-23(20)21/h2-12H,13-18H2,1H3,(H,25,28)
InChIKeyZIBSMJYQRAGFNY-UHFFFAOYSA-N
XLogP2.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-naphthalen-1-ylacetamide
CID 4778586
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide
CID 171536240
2-chloro-6-fluoro-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]benzamide
CID 108736084
methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methylcarbamoyl]benzoate
CID 108736156
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 7921209
2-methyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-3-nitrobenzamide
CID 108736154
2,4-dichloro-N-[2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methylamino]-2-oxoethyl]benzamide
CID 108759133
3-(4-ethylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]propanamide
CID 108736110
(2E,4E)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]hexa-2,4-dienamide
CID 108736056
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]benzamide
CID 108736122
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
3-(2-fluorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737007

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide (CID 108736162) is N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide is CN1CCN(S(=O)(=O)c2ccc(CNC(=O)Cc3cccc4ccccc34)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide?
The InChIKey is ZIBSMJYQRAGFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-26-13-15-27(16-14-26)31(29,30)22-11-9-19(10-12-22)18-25-24(28)17-21-7-4-6-20-5-2-3-8-23(20)21/h2-12H,13-18H2,1H3,(H,25,28).
What are the key properties of N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide?
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide has a molecular weight of 437.57 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 108736162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).