N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide

C25H21NO3S — CID 100511475

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1cccc2ccccc12)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C25H21NO3S/c27-24(26-23-14-13-19-12-11-18-7-4-10-22(23)25(18)19)16-30(28,29)15-20-8-3-6-17-5-1-2-9-21(17)20/h1-10,13-14H,11-12,15-16H2,(H,26,27)
InChIKeyZOBGHLDWOWPOIK-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.65
Rot. Bonds5

About N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide (PubChem CID 100511475) has the molecular formula C25H21NO3S and a molecular weight of 415.51 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide
PubChem CID100511475
Molecular FormulaC25H21NO3S
Molecular Weight415.51 g/mol
Exact Mass415.12
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1cccc2ccccc12)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C25H21NO3S/c27-24(26-23-14-13-19-12-11-18-7-4-10-22(23)25(18)19)16-30(28,29)15-20-8-3-6-17-5-1-2-9-21(17)20/h1-10,13-14H,11-12,15-16H2,(H,26,27)
InChIKeyZOBGHLDWOWPOIK-UHFFFAOYSA-N
XLogP4.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838382
N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide
CID 5070082
2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 800367
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide
CID 23875149
N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544372
N-(1,2-dihydroacenaphthylen-5-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678310
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide
CID 24562392
N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18206563
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 34573149
N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050486
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 35811813

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide (CID 100511475) is N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide is O=C(CS(=O)(=O)Cc1cccc2ccccc12)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide?
The InChIKey is ZOBGHLDWOWPOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3S/c27-24(26-23-14-13-19-12-11-18-7-4-10-22(23)25(18)19)16-30(28,29)15-20-8-3-6-17-5-1-2-9-21(17)20/h1-10,13-14H,11-12,15-16H2,(H,26,27).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide has a molecular weight of 415.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 100511475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).