N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide

C25H28N2O5S — CID 17112658

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-31-16-17-32-22-12-8-20(9-13-22)25(28)26-21-10-14-23(15-11-21)33(29,30)27-24-18(2)6-5-7-19(24)3/h5-15,27H,4,16-17H2,1-3H3,(H,26,28)
InChIKeyMNOZIBXALMMRDB-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.77
Rot. Bonds10

About N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide (PubChem CID 17112658) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide
PubChem CID17112658
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-31-16-17-32-22-12-8-20(9-13-22)25(28)26-21-10-14-23(15-11-21)33(29,30)27-24-18(2)6-5-7-19(24)3/h5-15,27H,4,16-17H2,1-3H3,(H,26,28)
InChIKeyMNOZIBXALMMRDB-UHFFFAOYSA-N
XLogP4.77
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.77
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

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17139622
4-(2-ethoxyethoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17112535
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 55865615
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17112927
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 55658123

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide (CID 17112658) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide is CCOCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide?
The InChIKey is MNOZIBXALMMRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-4-31-16-17-32-22-12-8-20(9-13-22)25(28)26-21-10-14-23(15-11-21)33(29,30)27-24-18(2)6-5-7-19(24)3/h5-15,27H,4,16-17H2,1-3H3,(H,26,28).
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide has a molecular weight of 468.58 g/mol, XLogP of 4.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17112658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).