2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

C27H33N3O7S2 — CID 100791458

IUPAC2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC
InChIInChI=1S/C27H33N3O7S2/c1-20-11-12-22(38(32,33)29(2)3)17-24(20)28-27(31)19-30(16-15-21-9-7-6-8-10-21)39(34,35)23-13-14-25(36-4)26(18-23)37-5/h6-14,17-18H,15-16,19H2,1-5H3,(H,28,31)
InChIKeyWBVYICFWJSXCSH-UHFFFAOYSA-N
MW575.71 g/mol
LogP3.13
Rot. Bonds12

About 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 100791458) has the molecular formula C27H33N3O7S2 and a molecular weight of 575.71 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID100791458
Molecular FormulaC27H33N3O7S2
Molecular Weight575.71 g/mol
Exact Mass575.18
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC
InChIInChI=1S/C27H33N3O7S2/c1-20-11-12-22(38(32,33)29(2)3)17-24(20)28-27(31)19-30(16-15-21-9-7-6-8-10-21)39(34,35)23-13-14-25(36-4)26(18-23)37-5/h6-14,17-18H,15-16,19H2,1-5H3,(H,28,31)
InChIKeyWBVYICFWJSXCSH-UHFFFAOYSA-N
XLogP3.13
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28544285
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126395918
N-(3-chlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 3642012
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 3295282
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100790047
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
methyl 2-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]-4,5-dimethoxybenzoate
CID 45372802
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28547602
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126395903
N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28547639
2-[(3,4-dimethoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40682573

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (CID 100791458) is 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is WBVYICFWJSXCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O7S2/c1-20-11-12-22(38(32,33)29(2)3)17-24(20)28-27(31)19-30(16-15-21-9-7-6-8-10-21)39(34,35)23-13-14-25(36-4)26(18-23)37-5/h6-14,17-18H,15-16,19H2,1-5H3,(H,28,31).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 575.71 g/mol, XLogP of 3.13, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 100791458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).