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

C23H31N3O5S — CID 4832930

IUPAC2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H31N3O5S/c1-19-4-10-22(11-5-19)32(28,29)26(12-3-15-30-2)18-23(27)24-20-6-8-21(9-7-20)25-13-16-31-17-14-25/h4-11H,3,12-18H2,1-2H3,(H,24,27)
InChIKeySVTIBLAKLJIJAV-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.50
Rot. Bonds10

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

2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4832930) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID4832930
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H31N3O5S/c1-19-4-10-22(11-5-19)32(28,29)26(12-3-15-30-2)18-23(27)24-20-6-8-21(9-7-20)25-13-16-31-17-14-25/h4-11H,3,12-18H2,1-2H3,(H,24,27)
InChIKeySVTIBLAKLJIJAV-UHFFFAOYSA-N
XLogP2.50
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519821
2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4017025
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803
2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 5108161
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113149557
2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 3213071
2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4869538
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 3910541
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 3185266
2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 42676841

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 4832930) is 2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide is COCCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is SVTIBLAKLJIJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-19-4-10-22(11-5-19)32(28,29)26(12-3-15-30-2)18-23(27)24-20-6-8-21(9-7-20)25-13-16-31-17-14-25/h4-11H,3,12-18H2,1-2H3,(H,24,27).
What are the key properties of 2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 461.58 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4832930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).