N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide

C24H24N2O6S — CID 3955567

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O6S/c1-33(28,29)26(15-24(27)25-14-19-7-12-22-23(13-19)32-17-31-22)20-8-10-21(11-9-20)30-16-18-5-3-2-4-6-18/h2-13H,14-17H2,1H3,(H,25,27)
InChIKeyYCDJJCGYXCWKBV-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.08
Rot. Bonds9

About N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide (PubChem CID 3955567) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
PubChem CID3955567
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O6S/c1-33(28,29)26(15-24(27)25-14-19-7-12-22-23(13-19)32-17-31-22)20-8-10-21(11-9-20)30-16-18-5-3-2-4-6-18/h2-13H,14-17H2,1H3,(H,25,27)
InChIKeyYCDJJCGYXCWKBV-UHFFFAOYSA-N
XLogP3.08
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 2231727
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 30882836
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217272
N-(1,3-benzodioxol-5-ylmethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2973295
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896165
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetamide
CID 1090564
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1091460
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 126274709
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 126325883
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1297414
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 2243415
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 21372613

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide (CID 3955567) is N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
The InChIKey is YCDJJCGYXCWKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-33(28,29)26(15-24(27)25-14-19-7-12-22-23(13-19)32-17-31-22)20-8-10-21(11-9-20)30-16-18-5-3-2-4-6-18/h2-13H,14-17H2,1H3,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide has a molecular weight of 468.53 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide is sourced from PubChem (CID 3955567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).