N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H24N2O5S — CID 1075763

IUPACN-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2cccc(C)c2C)cc1
InChIInChI=1S/C24H24N2O5S/c1-16-7-10-20(11-8-16)32(28,29)26(21-6-4-5-17(2)18(21)3)14-24(27)25-19-9-12-22-23(13-19)31-15-30-22/h4-13H,14-15H2,1-3H3,(H,25,27)
InChIKeyHILBNCHMAZGNMD-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.17
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1075763) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1075763
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2cccc(C)c2C)cc1
InChIInChI=1S/C24H24N2O5S/c1-16-7-10-20(11-8-16)32(28,29)26(21-6-4-5-17(2)18(21)3)14-24(27)25-19-9-12-22-23(13-19)31-15-30-22/h4-13H,14-15H2,1-3H3,(H,25,27)
InChIKeyHILBNCHMAZGNMD-UHFFFAOYSA-N
XLogP4.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126033961
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1000004
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2176046
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 2175027
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126118965
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53280357
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30172682
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30230108
N-(1,3-benzodioxol-5-yl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069698
N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30264821
N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1303550
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100552146

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1075763) is N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2cccc(C)c2C)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is HILBNCHMAZGNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-16-7-10-20(11-8-16)32(28,29)26(21-6-4-5-17(2)18(21)3)14-24(27)25-19-9-12-22-23(13-19)31-15-30-22/h4-13H,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 452.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1075763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).