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

C26H28N4O6S — CID 4838760

IUPAC4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)=O)cc2)ccc1N1CCOCC1
InChIInChI=1S/C26H28N4O6S/c1-18(31)27-20-9-7-19(8-10-20)26(32)28-21-11-12-23(30-13-15-36-16-14-30)25(17-21)37(33,34)29-22-5-3-4-6-24(22)35-2/h3-12,17,29H,13-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyMQMZYPYMNUANLW-UHFFFAOYSA-N
MW524.60 g/mol
LogP3.54
Rot. Bonds8

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

4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (PubChem CID 4838760) has the molecular formula C26H28N4O6S and a molecular weight of 524.60 g/mol. Its IUPAC name is 4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
PubChem CID4838760
Molecular FormulaC26H28N4O6S
Molecular Weight524.60 g/mol
Exact Mass524.17
IUPAC Name4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)=O)cc2)ccc1N1CCOCC1
InChIInChI=1S/C26H28N4O6S/c1-18(31)27-20-9-7-19(8-10-20)26(32)28-21-11-12-23(30-13-15-36-16-14-30)25(17-21)37(33,34)29-22-5-3-4-6-24(22)35-2/h3-12,17,29H,13-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyMQMZYPYMNUANLW-UHFFFAOYSA-N
XLogP3.54
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.60
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3365317
4-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3465983
2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4195720
T5247935
CID 5216904
(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6160149
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42601204
N-(2-ethoxyphenyl)-4-methyl-3-{[(4-methylphenyl)amino]sulfonyl}benzamide
CID 1266608
4-Methanesulfonylamino-N-[4-(2-methoxy-phenyl)-piperazin-2-ylmethyl]-benzamide
CID 14998850
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The IUPAC name of 4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (CID 4838760) is 4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)=O)cc2)ccc1N1CCOCC1.
What is the InChIKey of 4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The InChIKey is MQMZYPYMNUANLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O6S/c1-18(31)27-20-9-7-19(8-10-20)26(32)28-21-11-12-23(30-13-15-36-16-14-30)25(17-21)37(33,34)29-22-5-3-4-6-24(22)35-2/h3-12,17,29H,13-16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide has a molecular weight of 524.60 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is sourced from PubChem (CID 4838760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).