2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C20H25N3O4S — CID 55352514

IUPAC2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H25N3O4S/c1-16-4-3-5-19(14-16)28(25,26)22(2)15-20(24)21-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyCRZVEPVNVBVZJQ-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.09
Rot. Bonds6

About 2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55352514) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55352514
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H25N3O4S/c1-16-4-3-5-19(14-16)28(25,26)22(2)15-20(24)21-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyCRZVEPVNVBVZJQ-UHFFFAOYSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-cyanophenyl)sulfonyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7937740
2-[[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354482
2-[(2,6-difluorophenyl)sulfonyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 17398372
3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328562
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 100517491
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592750
2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 94538736
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2112970

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55352514) is 2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1cccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is CRZVEPVNVBVZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-16-4-3-5-19(14-16)28(25,26)22(2)15-20(24)21-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of 2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55352514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).