N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide

C26H31N3O7S2 — CID 43875130

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c(C)c2)cc1
InChIInChI=1S/C26H31N3O7S2/c1-5-35-22-10-8-21(9-11-22)28-37(31,32)24-14-15-25(19(2)16-24)36-18-26(30)27-17-20-6-12-23(13-7-20)38(33,34)29(3)4/h6-16,28H,5,17-18H2,1-4H3,(H,27,30)
InChIKeyRZCFYWDKOBOXRF-UHFFFAOYSA-N
MW561.68 g/mol
LogP3.14
Rot. Bonds12

About N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide (PubChem CID 43875130) has the molecular formula C26H31N3O7S2 and a molecular weight of 561.68 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
PubChem CID43875130
Molecular FormulaC26H31N3O7S2
Molecular Weight561.68 g/mol
Exact Mass561.16
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c(C)c2)cc1
InChIInChI=1S/C26H31N3O7S2/c1-5-35-22-10-8-21(9-11-22)28-37(31,32)24-14-15-25(19(2)16-24)36-18-26(30)27-17-20-6-12-23(13-7-20)38(33,34)29(3)4/h6-16,28H,5,17-18H2,1-4H3,(H,27,30)
InChIKeyRZCFYWDKOBOXRF-UHFFFAOYSA-N
XLogP3.14
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.68
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide with MolForge

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Related Compounds

2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43875173
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3943831
2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43875156
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562658
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55846808
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875042
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445
N-benzyl-4-[2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133239004
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 28562564

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide (CID 43875130) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide is CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c(C)c2)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The InChIKey is RZCFYWDKOBOXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O7S2/c1-5-35-22-10-8-21(9-11-22)28-37(31,32)24-14-15-25(19(2)16-24)36-18-26(30)27-17-20-6-12-23(13-7-20)38(33,34)29(3)4/h6-16,28H,5,17-18H2,1-4H3,(H,27,30).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide has a molecular weight of 561.68 g/mol, XLogP of 3.14, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide is sourced from PubChem (CID 43875130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).