N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide

C19H24N4O5S — CID 55490440

IUPACN-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N4O5S/c1-14-3-7-16(8-4-14)20-13-18(24)22-23-19(25)15-5-9-17(10-6-15)29(26,27)21-11-12-28-2/h3-10,20-21H,11-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGMFBGGUFFFXETN-UHFFFAOYSA-N
MW420.49 g/mol
LogP0.79
Rot. Bonds9

About N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide

N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 55490440) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID55490440
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N4O5S/c1-14-3-7-16(8-4-14)20-13-18(24)22-23-19(25)15-5-9-17(10-6-15)29(26,27)21-11-12-28-2/h3-10,20-21H,11-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGMFBGGUFFFXETN-UHFFFAOYSA-N
XLogP0.79
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 24584227
4-(2-methoxyethylsulfamoyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109059796
4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 35437620
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
N'-[2-(4-methylanilino)acetyl]-3-methylsulfonylbenzohydrazide
CID 55350628
N-(2-amino-2-methylpropyl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119627863
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 119522966
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109059815

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide (CID 55490440) is N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide is COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is GMFBGGUFFFXETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-14-3-7-16(8-4-14)20-13-18(24)22-23-19(25)15-5-9-17(10-6-15)29(26,27)21-11-12-28-2/h3-10,20-21H,11-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide?
N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 0.79, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 55490440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).