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

C23H25N3O3S2 — CID 24529591

IUPACN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C23H25N3O3S2/c1-25-12-14-26(15-13-25)31(28,29)22-10-7-20(8-11-22)24-23(27)17-30-21-9-6-18-4-2-3-5-19(18)16-21/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyQLLXQKAZNPVCTI-UHFFFAOYSA-N
MW455.61 g/mol
LogP3.51
Rot. Bonds6

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

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 24529591) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide
PubChem CID24529591
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C23H25N3O3S2/c1-25-12-14-26(15-13-25)31(28,29)22-10-7-20(8-11-22)24-23(27)17-30-21-9-6-18-4-2-3-5-19(18)16-21/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyQLLXQKAZNPVCTI-UHFFFAOYSA-N
XLogP3.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782
2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 30991886
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 16515870
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 9492775
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
2-(4-nitrophenyl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2121931
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 29479537
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide (CID 24529591) is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ccc4ccccc4c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is QLLXQKAZNPVCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-25-12-14-26(15-13-25)31(28,29)22-10-7-20(8-11-22)24-23(27)17-30-21-9-6-18-4-2-3-5-19(18)16-21/h2-11,16H,12-15,17H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide?
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 455.61 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 24529591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).