2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

C25H28N4O4S — CID 17201173

IUPAC2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1
InChIInChI=1S/C25H28N4O4S/c1-19(20-12-6-4-7-13-20)26-25(31)22-16-10-11-17-23(22)27-24(30)18-29(34(32,33)28(2)3)21-14-8-5-9-15-21/h4-17,19H,18H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyUEDVBAGHWRTNFJ-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.43
Rot. Bonds9

About 2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 17201173) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID17201173
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1
InChIInChI=1S/C25H28N4O4S/c1-19(20-12-6-4-7-13-20)26-25(31)22-16-10-11-17-23(22)27-24(30)18-29(34(32,33)28(2)3)21-14-8-5-9-15-21/h4-17,19H,18H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyUEDVBAGHWRTNFJ-UHFFFAOYSA-N
XLogP3.43
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[N-(benzenesulfonyl)-4-iodoanilino]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126182722
2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126125465
2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126126843
2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126118406
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126128608
2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42949097
2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126136076
2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126132732
2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126132729
2-[[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126154147
2-[[2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 94855065
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2430647

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 17201173) is 2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1.
What is the InChIKey of 2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is UEDVBAGHWRTNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-19(20-12-6-4-7-13-20)26-25(31)22-16-10-11-17-23(22)27-24(30)18-29(34(32,33)28(2)3)21-14-8-5-9-15-21/h4-17,19H,18H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of 2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 480.59 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 17201173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).