2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide

C22H30N4O4S — CID 4846803

IUPAC2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H30N4O4S/c1-3-26(4-2)31(28,29)21-11-7-18(8-12-21)23-17-22(27)24-19-5-9-20(10-6-19)25-13-15-30-16-14-25/h5-12,23H,3-4,13-17H2,1-2H3,(H,24,27)
InChIKeyTWDRWVNQUICCKI-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.60
Rot. Bonds9

About 2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4846803) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID4846803
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H30N4O4S/c1-3-26(4-2)31(28,29)21-11-7-18(8-12-21)23-17-22(27)24-19-5-9-20(10-6-19)25-13-15-30-16-14-25/h5-12,23H,3-4,13-17H2,1-2H3,(H,24,27)
InChIKeyTWDRWVNQUICCKI-UHFFFAOYSA-N
XLogP2.60
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.60
H-Bond Donors ≤ 52
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

3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328562
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159
2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4832930
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 4964891
N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
N-[4-(diethylsulfamoyl)phenyl]-2-[[(2S)-2-hydroxypropyl]amino]acetamide
CID 2458881
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
CID 9084099
N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 9100034
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 4846803) is 2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is TWDRWVNQUICCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-3-26(4-2)31(28,29)21-11-7-18(8-12-21)23-17-22(27)24-19-5-9-20(10-6-19)25-13-15-30-16-14-25/h5-12,23H,3-4,13-17H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 446.57 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4846803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).