N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide

C20H22N2O5S — CID 90577516

IUPACN-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC#CCOc1cccc(NC(C)=O)c1
InChIInChI=1S/C20H22N2O5S/c1-15-9-10-19(26-3)20(13-15)28(24,25)21-11-4-5-12-27-18-8-6-7-17(14-18)22-16(2)23/h6-10,13-14,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyDJDZMUMFTRHFBK-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.32
Rot. Bonds7

About N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide

N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide (PubChem CID 90577516) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
PubChem CID90577516
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC#CCOc1cccc(NC(C)=O)c1
InChIInChI=1S/C20H22N2O5S/c1-15-9-10-19(26-3)20(13-15)28(24,25)21-11-4-5-12-27-18-8-6-7-17(14-18)22-16(2)23/h6-10,13-14,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyDJDZMUMFTRHFBK-UHFFFAOYSA-N
XLogP2.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]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

N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577505
N-[3-[4-[(2,4-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577504
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998674
N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide
CID 90577537
N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-chloro-2-methoxybenzamide
CID 90577284
N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide
CID 90577447
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-[4-(dimethylamino)but-2-ynyl]-2-methoxy-5-methylbenzenesulfonamide
CID 71792437
(3-methylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 110670472
N-[4-(3-acetamidophenoxy)but-2-ynyl]-2-(3-methylphenyl)acetamide
CID 90577329
N-[4-methoxy-3-[(3-methoxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 31481450
N-[3-[4-[[(E)-2-phenylethenyl]sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577523

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide (CID 90577516) is N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide is COc1ccc(C)cc1S(=O)(=O)NCC#CCOc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide?
The InChIKey is DJDZMUMFTRHFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-15-9-10-19(26-3)20(13-15)28(24,25)21-11-4-5-12-27-18-8-6-7-17(14-18)22-16(2)23/h6-10,13-14,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide?
N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide has a molecular weight of 402.47 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide is sourced from PubChem (CID 90577516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).