3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide

C26H30N4O7S2 — CID 4849688

IUPAC3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N1CCOCC1
InChIInChI=1S/C26H30N4O7S2/c1-29(2)39(34,35)21-8-6-7-19(17-21)26(31)27-20-11-12-23(30-13-15-37-16-14-30)25(18-20)38(32,33)28-22-9-4-5-10-24(22)36-3/h4-12,17-18,28H,13-16H2,1-3H3,(H,27,31)
InChIKeyREVTWROJVJWDRF-UHFFFAOYSA-N
MW574.68 g/mol
LogP2.84
Rot. Bonds9

About 3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide

3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (PubChem CID 4849688) has the molecular formula C26H30N4O7S2 and a molecular weight of 574.68 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
PubChem CID4849688
Molecular FormulaC26H30N4O7S2
Molecular Weight574.68 g/mol
Exact Mass574.16
IUPAC Name3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N1CCOCC1
InChIInChI=1S/C26H30N4O7S2/c1-29(2)39(34,35)21-8-6-7-19(17-21)26(31)27-20-11-12-23(30-13-15-37-16-14-30)25(18-20)38(32,33)28-22-9-4-5-10-24(22)36-3/h4-12,17-18,28H,13-16H2,1-3H3,(H,27,31)
InChIKeyREVTWROJVJWDRF-UHFFFAOYSA-N
XLogP2.84
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.68
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 5040459
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]cyclopentanecarboxamide
CID 4837031
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide
CID 4560302
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide
CID 4845849
2,4,5-trimethoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
CID 3359599
3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 5029544
1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 4834845
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide
CID 4008711
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 98391352
N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 3389026

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (CID 4849688) is 3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N1CCOCC1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The InChIKey is REVTWROJVJWDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O7S2/c1-29(2)39(34,35)21-8-6-7-19(17-21)26(31)27-20-11-12-23(30-13-15-37-16-14-30)25(18-20)38(32,33)28-22-9-4-5-10-24(22)36-3/h4-12,17-18,28H,13-16H2,1-3H3,(H,27,31).
What are the key properties of 3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide has a molecular weight of 574.68 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is sourced from PubChem (CID 4849688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).