N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide

C27H26N4O6S — CID 3985673

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(=O)[nH]c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C27H26N4O6S/c1-36-24-9-5-4-8-22(24)30-38(34,35)25-16-18(10-11-23(25)31-12-14-37-15-13-31)28-27(33)20-17-26(32)29-21-7-3-2-6-19(20)21/h2-11,16-17,30H,12-15H2,1H3,(H,28,33)(H,29,32)
InChIKeyAFXNAWKWJGHDFJ-UHFFFAOYSA-N
MW534.59 g/mol
LogP3.43
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 3985673) has the molecular formula C27H26N4O6S and a molecular weight of 534.59 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID3985673
Molecular FormulaC27H26N4O6S
Molecular Weight534.59 g/mol
Exact Mass534.16
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(=O)[nH]c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C27H26N4O6S/c1-36-24-9-5-4-8-22(24)30-38(34,35)25-16-18(10-11-23(25)31-12-14-37-15-13-31)28-27(33)20-17-26(32)29-21-7-3-2-6-19(20)21/h2-11,16-17,30H,12-15H2,1H3,(H,28,33)(H,29,32)
InChIKeyAFXNAWKWJGHDFJ-UHFFFAOYSA-N
XLogP3.43
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.59
LogP ≤ 53.43
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-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
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
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholinomethyl)benzamide
CID 1163593
N-[2-methoxy-4-(1-piperidinylsulfonyl)phenyl]-2-phenylacetamide
CID 1311120
N-(2-Methoxy-phenyl)-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1428595
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 2404318

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide (CID 3985673) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(=O)[nH]c3ccccc23)ccc1N1CCOCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is AFXNAWKWJGHDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O6S/c1-36-24-9-5-4-8-22(24)30-38(34,35)25-16-18(10-11-23(25)31-12-14-37-15-13-31)28-27(33)20-17-26(32)29-21-7-3-2-6-19(20)21/h2-11,16-17,30H,12-15H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 534.59 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 3985673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).