N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide

C20H25N3O4S — CID 55947808

IUPACN-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C20H25N3O4S/c1-3-28(26,27)23-18-12-11-17(14-15(18)2)22-19(24)10-7-13-21-20(25)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,23H,3,7,10,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyIVOFFINNCIIHTJ-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.91
Rot. Bonds9

About N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide

N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide (PubChem CID 55947808) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide
PubChem CID55947808
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C20H25N3O4S/c1-3-28(26,27)23-18-12-11-17(14-15(18)2)22-19(24)10-7-13-21-20(25)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,23H,3,7,10,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyIVOFFINNCIIHTJ-UHFFFAOYSA-N
XLogP2.91
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide
CID 55982530
methyl 3-(4-benzamidobutanoylamino)benzoate
CID 39769177
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-methoxyphenoxy)acetamide
CID 55947423
N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55947302
3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948834
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 47067394
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55947553
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide (CID 55947808) is N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1C.
What is the InChIKey of N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide?
The InChIKey is IVOFFINNCIIHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-3-28(26,27)23-18-12-11-17(14-15(18)2)22-19(24)10-7-13-21-20(25)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,23H,3,7,10,13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide?
N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide is sourced from PubChem (CID 55947808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).