2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

C26H31N3O6S2 — CID 100795494

IUPAC2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C26H31N3O6S2/c1-20-9-12-23(13-10-20)36(31,32)28-16-15-27-26(30)19-29(18-22-7-5-4-6-8-22)37(33,34)25-17-21(2)11-14-24(25)35-3/h4-14,17,28H,15-16,18-19H2,1-3H3,(H,27,30)
InChIKeyXKNSNWOIINLVNT-UHFFFAOYSA-N
MW545.68 g/mol
LogP2.60
Rot. Bonds12

About 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 100795494) has the molecular formula C26H31N3O6S2 and a molecular weight of 545.68 g/mol. Its IUPAC name is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID100795494
Molecular FormulaC26H31N3O6S2
Molecular Weight545.68 g/mol
Exact Mass545.17
IUPAC Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C26H31N3O6S2/c1-20-9-12-23(13-10-20)36(31,32)28-16-15-27-26(30)19-29(18-22-7-5-4-6-8-22)37(33,34)25-17-21(2)11-14-24(25)35-3/h4-14,17,28H,15-16,18-19H2,1-3H3,(H,27,30)
InChIKeyXKNSNWOIINLVNT-UHFFFAOYSA-N
XLogP2.60
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.68
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide 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-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 3979664
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100791083
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100797142
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 126393677
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 3584620
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781983
2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100797192
methyl 4-[[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 2236354

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (CID 100795494) is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is XKNSNWOIINLVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O6S2/c1-20-9-12-23(13-10-20)36(31,32)28-16-15-27-26(30)19-29(18-22-7-5-4-6-8-22)37(33,34)25-17-21(2)11-14-24(25)35-3/h4-14,17,28H,15-16,18-19H2,1-3H3,(H,27,30).
What are the key properties of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 545.68 g/mol, XLogP of 2.60, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 100795494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).