2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide

C22H26N2O5S — CID 17491467

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)S(C)(=O)=O
InChIInChI=1S/C22H26N2O5S/c1-16-8-4-5-9-18(16)24(30(2,26)27)15-21(25)23-17-10-11-19-20(14-17)29-22(28-19)12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,25)
InChIKeyHHCQEHAAPZQVCW-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.83
Rot. Bonds5

About 2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide

2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide (PubChem CID 17491467) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
PubChem CID17491467
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)S(C)(=O)=O
InChIInChI=1S/C22H26N2O5S/c1-16-8-4-5-9-18(16)24(30(2,26)27)15-21(25)23-17-10-11-19-20(14-17)29-22(28-19)12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,25)
InChIKeyHHCQEHAAPZQVCW-UHFFFAOYSA-N
XLogP3.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
2-[[(1R)-1-phenylethyl]amino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 9248531
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3335724
N-[4-(1-adamantyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 23875417
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30837672
N-(3,5-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 8572707
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
2-(2-methyl-N-methylsulfonylanilino)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55359292
N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 37281546
2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
CID 2874689
N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide
CID 30857477
2-(2-methyl-N-methylsulfonylanilino)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363518

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide (CID 17491467) is 2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide is Cc1ccccc1N(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
The InChIKey is HHCQEHAAPZQVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-16-8-4-5-9-18(16)24(30(2,26)27)15-21(25)23-17-10-11-19-20(14-17)29-22(28-19)12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide has a molecular weight of 430.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide is sourced from PubChem (CID 17491467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).