5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide

C20H22N2O5S — CID 91950507

IUPAC5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2oc(C(=O)NCCC(O)c3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O5S/c1-22(2)28(25,26)16-8-9-18-15(12-16)13-19(27-18)20(24)21-11-10-17(23)14-6-4-3-5-7-14/h3-9,12-13,17,23H,10-11H2,1-2H3,(H,21,24)
InChIKeySXMBKEACZHPESH-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.54
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide

5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 91950507) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide
PubChem CID91950507
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2oc(C(=O)NCCC(O)c3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O5S/c1-22(2)28(25,26)16-8-9-18-15(12-16)13-19(27-18)20(24)21-11-10-17(23)14-6-4-3-5-7-14/h3-9,12-13,17,23H,10-11H2,1-2H3,(H,21,24)
InChIKeySXMBKEACZHPESH-UHFFFAOYSA-N
XLogP2.54
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499587
5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 91950519
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 55960779
5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
CID 90499560
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773
N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 91950528
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9427401
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 52592042

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide (CID 91950507) is 5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide is CN(C)S(=O)(=O)c1ccc2oc(C(=O)NCCC(O)c3ccccc3)cc2c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is SXMBKEACZHPESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-22(2)28(25,26)16-8-9-18-15(12-16)13-19(27-18)20(24)21-11-10-17(23)14-6-4-3-5-7-14/h3-9,12-13,17,23H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide?
5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91950507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).