N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide

C17H20N2O4S — CID 110292077

IUPACN-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-13-8-9-15(23-2)16(12-13)24(21,22)19-11-10-18-17(20)14-6-4-3-5-7-14/h3-9,12,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyLIFYFPZIHSLTDE-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.71
Rot. Bonds7

About N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide

N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 110292077) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
PubChem CID110292077
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-13-8-9-15(23-2)16(12-13)24(21,22)19-11-10-18-17(20)14-6-4-3-5-7-14/h3-9,12,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyLIFYFPZIHSLTDE-UHFFFAOYSA-N
XLogP1.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.71
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

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108573220
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide
CID 108570759
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110601340
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide
CID 46402299
N-[2-[(4-ethoxy-2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 110292090
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium
CID 8511849
N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 121112300
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide (CID 110292077) is N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide is COc1ccc(C)cc1S(=O)(=O)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is LIFYFPZIHSLTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-8-9-15(23-2)16(12-13)24(21,22)19-11-10-18-17(20)14-6-4-3-5-7-14/h3-9,12,19H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide?
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 348.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 110292077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).