(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C21H25N3O6S2 — CID 6165151

IUPAC(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O6S2/c1-23(2)31(26,27)20-5-3-4-18(16-20)22-21(25)11-8-17-6-9-19(10-7-17)32(28,29)24-12-14-30-15-13-24/h3-11,16H,12-15H2,1-2H3,(H,22,25)/b11-8+
InChIKeyUIDNMHZYHWYGKT-DHZHZOJOSA-N
MW479.58 g/mol
LogP1.61
Rot. Bonds7

About (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 6165151) has the molecular formula C21H25N3O6S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID6165151
Molecular FormulaC21H25N3O6S2
Molecular Weight479.58 g/mol
Exact Mass479.12
IUPAC Name(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O6S2/c1-23(2)31(26,27)20-5-3-4-18(16-20)22-21(25)11-8-17-6-9-19(10-7-17)32(28,29)24-12-14-30-15-13-24/h3-11,16H,12-15H2,1-2H3,(H,22,25)/b11-8+
InChIKeyUIDNMHZYHWYGKT-DHZHZOJOSA-N
XLogP1.61
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-(Morpholinosulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24894570
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
[2-(2,6-dimethylanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2367802
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
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
2-(4-methylphenyl)sulfanyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4789030
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 6165151) is (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is CN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is UIDNMHZYHWYGKT-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H25N3O6S2/c1-23(2)31(26,27)20-5-3-4-18(16-20)22-21(25)11-8-17-6-9-19(10-7-17)32(28,29)24-12-14-30-15-13-24/h3-11,16H,12-15H2,1-2H3,(H,22,25)/b11-8+.
What are the key properties of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 479.58 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 6165151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).