N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide

C21H28N4O4S — CID 3876432

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H28N4O4S/c1-16-4-5-18(14-20(16)30(27,28)24(2)3)23-21(26)15-22-17-6-8-19(9-7-17)25-10-12-29-13-11-25/h4-9,14,22H,10-13,15H2,1-3H3,(H,23,26)
InChIKeyLIVGFXRRCSISDM-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.13
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide (PubChem CID 3876432) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide
PubChem CID3876432
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H28N4O4S/c1-16-4-5-18(14-20(16)30(27,28)24(2)3)23-21(26)15-22-17-6-8-19(9-7-17)25-10-12-29-13-11-25/h4-9,14,22H,10-13,15H2,1-3H3,(H,23,26)
InChIKeyLIVGFXRRCSISDM-UHFFFAOYSA-N
XLogP2.13
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.13
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

N-(2-morpholinoethyl)-3-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulfonamide
CID 24894562
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
N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 4968867
2-[3,4-dimethyl(methylsulfonyl)anilino]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1142790
N-[4-(acetylamino)phenyl]-2-[4-ethyl(phenylsulfonyl)anilino]acetamide
CID 1210602
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
2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2196398

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide (CID 3876432) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide is Cc1ccc(NC(=O)CNc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide?
The InChIKey is LIVGFXRRCSISDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-16-4-5-18(14-20(16)30(27,28)24(2)3)23-21(26)15-22-17-6-8-19(9-7-17)25-10-12-29-13-11-25/h4-9,14,22H,10-13,15H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide has a molecular weight of 432.55 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide is sourced from PubChem (CID 3876432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).