4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide

C19H21N3O6S — CID 8574452

IUPAC4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H21N3O6S/c1-14(23)15-8-10-18(11-9-15)29(27,28)21(2)12-4-7-19(24)20-16-5-3-6-17(13-16)22(25)26/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,20,24)
InChIKeySWDXZLQPBDHUQQ-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.84
Rot. Bonds9

About 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide (PubChem CID 8574452) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide
PubChem CID8574452
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H21N3O6S/c1-14(23)15-8-10-18(11-9-15)29(27,28)21(2)12-4-7-19(24)20-16-5-3-6-17(13-16)22(25)26/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,20,24)
InChIKeySWDXZLQPBDHUQQ-UHFFFAOYSA-N
XLogP2.84
TPSA126.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide 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

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 24617336
6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
CID 42100975
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 26217725
2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 99818120
2-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119349970
4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
CID 18121131
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide (CID 8574452) is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide?
The InChIKey is SWDXZLQPBDHUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-14(23)15-8-10-18(11-9-15)29(27,28)21(2)12-4-7-19(24)20-16-5-3-6-17(13-16)22(25)26/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,20,24).
What are the key properties of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide?
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide has a molecular weight of 419.46 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide is sourced from PubChem (CID 8574452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).