3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

C24H32N4O5S — CID 55328562

IUPAC3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C24H32N4O5S/c1-4-28(5-2)34(31,32)22-8-6-7-19(17-22)24(30)26(3)18-23(29)25-20-9-11-21(12-10-20)27-13-15-33-16-14-27/h6-12,17H,4-5,13-16,18H2,1-3H3,(H,25,29)
InChIKeyGGNHOKZSUKGWTK-UHFFFAOYSA-N
MW488.61 g/mol
LogP2.26
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (PubChem CID 55328562) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
PubChem CID55328562
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C24H32N4O5S/c1-4-28(5-2)34(31,32)22-8-6-7-19(17-22)24(30)26(3)18-23(29)25-20-9-11-21(12-10-20)27-13-15-33-16-14-27/h6-12,17H,4-5,13-16,18H2,1-3H3,(H,25,29)
InChIKeyGGNHOKZSUKGWTK-UHFFFAOYSA-N
XLogP2.26
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55463120
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(propanoylamino)benzamide
CID 55833793
3-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 27793329
2-[[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354482
2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55352514
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803
3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide
CID 166330937
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958
2-[(3-cyanophenyl)sulfonyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7937740
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55347891
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (CID 55328562) is 3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The InChIKey is GGNHOKZSUKGWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-4-28(5-2)34(31,32)22-8-6-7-19(17-22)24(30)26(3)18-23(29)25-20-9-11-21(12-10-20)27-13-15-33-16-14-27/h6-12,17H,4-5,13-16,18H2,1-3H3,(H,25,29).
What are the key properties of 3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide has a molecular weight of 488.61 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 55328562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).