4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide

C19H25N3O5S2 — CID 100785424

IUPAC4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H25N3O5S2/c1-4-28(24,25)22(3)17-9-7-16(8-10-17)19(23)20-13-14-21-29(26,27)18-11-5-15(2)6-12-18/h5-12,21H,4,13-14H2,1-3H3,(H,20,23)
InChIKeyBARNXGNWYNIQNH-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.49
Rot. Bonds9

About 4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide

4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 100785424) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
PubChem CID100785424
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC Name4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H25N3O5S2/c1-4-28(24,25)22(3)17-9-7-16(8-10-17)19(23)20-13-14-21-29(26,27)18-11-5-15(2)6-12-18/h5-12,21H,4,13-14H2,1-3H3,(H,20,23)
InChIKeyBARNXGNWYNIQNH-UHFFFAOYSA-N
XLogP1.49
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.49
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

4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 38010084
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide
CID 108574896
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100787346
4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119498678
N-[2-[benzyl(methyl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 20854214
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 33429076
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
CID 109057932
4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
CID 109057844

Frequently Asked Questions

What is the IUPAC name of 4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide (CID 100785424) is 4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide is CCS(=O)(=O)N(C)c1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is BARNXGNWYNIQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-4-28(24,25)22(3)17-9-7-16(8-10-17)19(23)20-13-14-21-29(26,27)18-11-5-15(2)6-12-18/h5-12,21H,4,13-14H2,1-3H3,(H,20,23).
What are the key properties of 4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 100785424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).