N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide

C21H20N2O6S — CID 4092887

IUPACN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H20N2O6S/c1-14-6-7-16(30(26,27)23-8-10-28-11-9-23)13-18(14)22-20(24)17-12-15-4-2-3-5-19(15)29-21(17)25/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyUSJAPARMHTWDQN-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.37
Rot. Bonds4

About N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 4092887) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
PubChem CID4092887
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H20N2O6S/c1-14-6-7-16(30(26,27)23-8-10-28-11-9-23)13-18(14)22-20(24)17-12-15-4-2-3-5-19(15)29-21(17)25/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyUSJAPARMHTWDQN-UHFFFAOYSA-N
XLogP2.37
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(4-sulfamoylphenyl)-2H-chromene-3-carboxamide
CID 917163
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4192758
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 4249919
(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6160149
2-(2-benzylphenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16313859
2-methoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1085591
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate
CID 2421642
(E)-N-(3-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2498727
8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide
CID 3178231
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 3450586
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 3903461
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 4081477

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide (CID 4092887) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is USJAPARMHTWDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c1-14-6-7-16(30(26,27)23-8-10-28-11-9-23)13-18(14)22-20(24)17-12-15-4-2-3-5-19(15)29-21(17)25/h2-7,12-13H,8-11H2,1H3,(H,22,24).
What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 4092887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).