2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide

C24H27N3O6S2 — CID 28562658

IUPAC2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1C
InChIInChI=1S/C24H27N3O6S2/c1-16-4-7-20(12-17(16)2)27-35(31,32)22-10-11-23(18(3)13-22)33-15-24(28)26-14-19-5-8-21(9-6-19)34(25,29)30/h4-13,27H,14-15H2,1-3H3,(H,26,28)(H2,25,29,30)
InChIKeyYFPBJELIXVOOAA-UHFFFAOYSA-N
MW517.63 g/mol
LogP2.76
Rot. Bonds9

About 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 28562658) has the molecular formula C24H27N3O6S2 and a molecular weight of 517.63 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID28562658
Molecular FormulaC24H27N3O6S2
Molecular Weight517.63 g/mol
Exact Mass517.13
IUPAC Name2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1C
InChIInChI=1S/C24H27N3O6S2/c1-16-4-7-20(12-17(16)2)27-35(31,32)22-10-11-23(18(3)13-22)33-15-24(28)26-14-19-5-8-21(9-6-19)34(25,29)30/h4-13,27H,14-15H2,1-3H3,(H,26,28)(H2,25,29,30)
InChIKeyYFPBJELIXVOOAA-UHFFFAOYSA-N
XLogP2.76
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide
CID 100796845
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100796843
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 43875130
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3619640
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(1-methylpiperidin-4-yl)acetamide
CID 99968078
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28555736
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562504
2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide
CID 82921954
N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 82910962
N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 2237026

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 28562658) is 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1C.
What is the InChIKey of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is YFPBJELIXVOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S2/c1-16-4-7-20(12-17(16)2)27-35(31,32)22-10-11-23(18(3)13-22)33-15-24(28)26-14-19-5-8-21(9-6-19)34(25,29)30/h4-13,27H,14-15H2,1-3H3,(H,26,28)(H2,25,29,30).
What are the key properties of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 517.63 g/mol, XLogP of 2.76, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 28562658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).