2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide

C21H28BrN3O4S — CID 55725310

IUPAC2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
SMILESCCN(CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)c1ccccc1C
InChIInChI=1S/C21H28BrN3O4S/c1-4-25(20-8-6-5-7-16(20)2)13-11-23-21(26)18-15-17(9-10-19(18)22)30(27,28)24-12-14-29-3/h5-10,15,24H,4,11-14H2,1-3H3,(H,23,26)
InChIKeyDDMQHOUFQGGEFT-UHFFFAOYSA-N
MW498.44 g/mol
LogP2.94
Rot. Bonds11

About 2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide

2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 55725310) has the molecular formula C21H28BrN3O4S and a molecular weight of 498.44 g/mol. Its IUPAC name is 2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
PubChem CID55725310
Molecular FormulaC21H28BrN3O4S
Molecular Weight498.44 g/mol
Exact Mass497.10
IUPAC Name2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
SMILESCCN(CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)c1ccccc1C
InChIInChI=1S/C21H28BrN3O4S/c1-4-25(20-8-6-5-7-16(20)2)13-11-23-21(26)18-15-17(9-10-19(18)22)30(27,28)24-12-14-29-3/h5-10,15,24H,4,11-14H2,1-3H3,(H,23,26)
InChIKeyDDMQHOUFQGGEFT-UHFFFAOYSA-N
XLogP2.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 39731459
2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 55527805
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 31541929
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
CID 43006104
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 31541259
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide
CID 46478751
N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035449
propan-2-yl 2-[[2-bromo-5-(2-methoxyethylsulfamoyl)benzoyl]amino]acetate
CID 56543594
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17474206

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of 2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide (CID 55725310) is 2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for 2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for 2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide is CCN(CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)c1ccccc1C.
What is the InChIKey of 2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is DDMQHOUFQGGEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BrN3O4S/c1-4-25(20-8-6-5-7-16(20)2)13-11-23-21(26)18-15-17(9-10-19(18)22)30(27,28)24-12-14-29-3/h5-10,15,24H,4,11-14H2,1-3H3,(H,23,26).
What are the key properties of 2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide?
2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 498.44 g/mol, XLogP of 2.94, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 55725310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).