4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide

C16H26N2O5S — CID 56724224

IUPAC4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(C)(O)COC)cc1
InChIInChI=1S/C16H26N2O5S/c1-5-18(6-2)24(21,22)14-9-7-13(8-10-14)15(19)17-11-16(3,20)12-23-4/h7-10,20H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyHOGNDNVJDAXEFA-UHFFFAOYSA-N
MW358.46 g/mol
LogP0.84
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide

4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide (PubChem CID 56724224) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
PubChem CID56724224
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(C)(O)COC)cc1
InChIInChI=1S/C16H26N2O5S/c1-5-18(6-2)24(21,22)14-9-7-13(8-10-14)15(19)17-11-16(3,20)12-23-4/h7-10,20H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyHOGNDNVJDAXEFA-UHFFFAOYSA-N
XLogP0.84
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111975
4-cyano-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500924
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378667
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500989
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424
4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531024
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide
CID 90497084
2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid
CID 120702262

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide (CID 56724224) is 4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(C)(O)COC)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The InChIKey is HOGNDNVJDAXEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-5-18(6-2)24(21,22)14-9-7-13(8-10-14)15(19)17-11-16(3,20)12-23-4/h7-10,20H,5-6,11-12H2,1-4H3,(H,17,19).
What are the key properties of 4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide has a molecular weight of 358.46 g/mol, XLogP of 0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 56724224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).