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

C22H30N4O6S2 — CID 24979096

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C22H30N4O6S2/c1-3-25(4-2)33(28,29)21-10-6-8-19(16-21)24-22(27)17-23-18-7-5-9-20(15-18)34(30,31)26-11-13-32-14-12-26/h5-10,15-16,23H,3-4,11-14,17H2,1-2H3,(H,24,27)
InChIKeyFMLPHPSJXPYLRE-UHFFFAOYSA-N
MW510.64 g/mol
LogP1.79
Rot. Bonds10

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

N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 24979096) has the molecular formula C22H30N4O6S2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID24979096
Molecular FormulaC22H30N4O6S2
Molecular Weight510.64 g/mol
Exact Mass510.16
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C22H30N4O6S2/c1-3-25(4-2)33(28,29)21-10-6-8-19(16-21)24-22(27)17-23-18-7-5-9-20(15-18)34(30,31)26-11-13-32-14-12-26/h5-10,15-16,23H,3-4,11-14,17H2,1-2H3,(H,24,27)
InChIKeyFMLPHPSJXPYLRE-UHFFFAOYSA-N
XLogP1.79
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 2123914
1-[3-[(2-Fluorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 3499709
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
[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
1-[2-(Diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
CID 5075583
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
N-(4-(4-Morpholinylsulfonyl)phenyl)acetamide
CID 88976
N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidinosulfonylanilino)acetamide
CID 24818244

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide (CID 24979096) is N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is FMLPHPSJXPYLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6S2/c1-3-25(4-2)33(28,29)21-10-6-8-19(16-21)24-22(27)17-23-18-7-5-9-20(15-18)34(30,31)26-11-13-32-14-12-26/h5-10,15-16,23H,3-4,11-14,17H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 510.64 g/mol, XLogP of 1.79, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 24979096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).