2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide

C21H27N3O6S2 — CID 649188

IUPAC2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)CC2CCCO2)cc1
InChIInChI=1S/C21H27N3O6S2/c1-23(2)31(26,27)19-10-12-20(13-11-19)32(28,29)24(15-18-9-6-14-30-18)16-21(25)22-17-7-4-3-5-8-17/h3-5,7-8,10-13,18H,6,9,14-16H2,1-2H3,(H,22,25)
InChIKeyZRIPGLOQKURICT-UHFFFAOYSA-N
MW481.60 g/mol
LogP1.75
Rot. Bonds9

About 2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide

2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide (PubChem CID 649188) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
PubChem CID649188
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)CC2CCCO2)cc1
InChIInChI=1S/C21H27N3O6S2/c1-23(2)31(26,27)19-10-12-20(13-11-19)32(28,29)24(15-18-9-6-14-30-18)16-21(25)22-17-7-4-3-5-8-17/h3-5,7-8,10-13,18H,6,9,14-16H2,1-2H3,(H,22,25)
InChIKeyZRIPGLOQKURICT-UHFFFAOYSA-N
XLogP1.75
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide (CID 649188) is 2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)CC2CCCO2)cc1.
What is the InChIKey of 2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The InChIKey is ZRIPGLOQKURICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-23(2)31(26,27)19-10-12-20(13-11-19)32(28,29)24(15-18-9-6-14-30-18)16-21(25)22-17-7-4-3-5-8-17/h3-5,7-8,10-13,18H,6,9,14-16H2,1-2H3,(H,22,25).
What are the key properties of 2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide has a molecular weight of 481.60 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 649188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).