N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

C23H23NO3S — CID 16838382

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C23H23NO3S/c1-15(2)28(26,27)19-11-6-16(7-12-19)14-22(25)24-21-13-10-18-9-8-17-4-3-5-20(21)23(17)18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,24,25)
InChIKeyPJBNEPXXGVGMPU-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.30
Rot. Bonds5

About N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 16838382) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID16838382
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C23H23NO3S/c1-15(2)28(26,27)19-11-6-16(7-12-19)14-22(25)24-21-13-10-18-9-8-17-4-3-5-20(21)23(17)18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,24,25)
InChIKeyPJBNEPXXGVGMPU-UHFFFAOYSA-N
XLogP4.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 16838382) is N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc3c4c(cccc24)CC3)cc1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is PJBNEPXXGVGMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-15(2)28(26,27)19-11-6-16(7-12-19)14-22(25)24-21-13-10-18-9-8-17-4-3-5-20(21)23(17)18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,24,25).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.30, 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-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16838382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).