N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide

C23H32N4O6S2 — CID 24980848

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1C
InChIInChI=1S/C23H32N4O6S2/c1-4-26(5-2)35(31,32)22-16-20(10-9-18(22)3)25-23(28)17-24-19-7-6-8-21(15-19)34(29,30)27-11-13-33-14-12-27/h6-10,15-16,24H,4-5,11-14,17H2,1-3H3,(H,25,28)
InChIKeyKDQFNBFRSFIJGL-UHFFFAOYSA-N
MW524.67 g/mol
LogP2.10
Rot. Bonds10

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 24980848) has the molecular formula C23H32N4O6S2 and a molecular weight of 524.67 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID24980848
Molecular FormulaC23H32N4O6S2
Molecular Weight524.67 g/mol
Exact Mass524.18
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1C
InChIInChI=1S/C23H32N4O6S2/c1-4-26(5-2)35(31,32)22-16-20(10-9-18(22)3)25-23(28)17-24-19-7-6-8-21(15-19)34(29,30)27-11-13-33-14-12-27/h6-10,15-16,24H,4-5,11-14,17H2,1-3H3,(H,25,28)
InChIKeyKDQFNBFRSFIJGL-UHFFFAOYSA-N
XLogP2.10
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholinoethyl)-3-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulfonamide
CID 24894562
1-(3-(Morpholinosulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24894570
2-benzylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 3898052
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
2-[3,4-dimethyl(methylsulfonyl)anilino]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1142790
2-{Benzyl-[4-(morpholine-4-sulfonyl)-benzenesulfonyl]-amino}-N-phenyl-acetamide
CID 1435689
(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2092858
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 2318822

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide (CID 24980848) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is KDQFNBFRSFIJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O6S2/c1-4-26(5-2)35(31,32)22-16-20(10-9-18(22)3)25-23(28)17-24-19-7-6-8-21(15-19)34(29,30)27-11-13-33-14-12-27/h6-10,15-16,24H,4-5,11-14,17H2,1-3H3,(H,25,28).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 524.67 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 24980848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).