N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide

C20H26N2O4S — CID 35993040

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H26N2O4S/c1-5-22(6-2)27(25,26)17-11-12-19(23)18(13-17)21-20(24)16-9-7-15(8-10-16)14(3)4/h7-14,23H,5-6H2,1-4H3,(H,21,24)
InChIKeyPRPUYXCQXJHDLN-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.80
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide (PubChem CID 35993040) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
PubChem CID35993040
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H26N2O4S/c1-5-22(6-2)27(25,26)17-11-12-19(23)18(13-17)21-20(24)16-9-7-15(8-10-16)14(3)4/h7-14,23H,5-6H2,1-4H3,(H,21,24)
InChIKeyPRPUYXCQXJHDLN-UHFFFAOYSA-N
XLogP3.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581387
4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 998509
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylsulfonylbenzamide
CID 26354339
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide (CID 35993040) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide?
The InChIKey is PRPUYXCQXJHDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-22(6-2)27(25,26)17-11-12-19(23)18(13-17)21-20(24)16-9-7-15(8-10-16)14(3)4/h7-14,23H,5-6H2,1-4H3,(H,21,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide has a molecular weight of 390.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 35993040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).