N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide

C19H24N2O4S — CID 31754216

IUPACN-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
SMILESCOCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H24N2O4S/c1-14(2)15-8-10-16(11-9-15)26(23,24)21-18-7-5-4-6-17(18)19(22)20-12-13-25-3/h4-11,14,21H,12-13H2,1-3H3,(H,20,22)
InChIKeyKXOWRJAQUWHBIV-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.99
Rot. Bonds8

About N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide

N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide (PubChem CID 31754216) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
PubChem CID31754216
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
SMILESCOCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H24N2O4S/c1-14(2)15-8-10-16(11-9-15)26(23,24)21-18-7-5-4-6-17(18)19(22)20-12-13-25-3/h4-11,14,21H,12-13H2,1-3H3,(H,20,22)
InChIKeyKXOWRJAQUWHBIV-UHFFFAOYSA-N
XLogP2.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196
2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 7574221
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 25331128
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 100539081
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 18082666

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide (CID 31754216) is N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide is COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
The InChIKey is KXOWRJAQUWHBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14(2)15-8-10-16(11-9-15)26(23,24)21-18-7-5-4-6-17(18)19(22)20-12-13-25-3/h4-11,14,21H,12-13H2,1-3H3,(H,20,22).
What are the key properties of N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 31754216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).