8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide

C22H22N2O7S — CID 3178231

IUPAC8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)NCC4CCCO4)cc3)c(=O)oc12
InChIInChI=1S/C22H22N2O7S/c1-29-19-6-2-4-14-12-18(22(26)31-20(14)19)21(25)24-15-7-9-17(10-8-15)32(27,28)23-13-16-5-3-11-30-16/h2,4,6-10,12,16,23H,3,5,11,13H2,1H3,(H,24,25)
InChIKeyNPFAVBUVROMOFY-UHFFFAOYSA-N
MW458.49 g/mol
LogP2.51
Rot. Bonds7

About 8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide

8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide (PubChem CID 3178231) has the molecular formula C22H22N2O7S and a molecular weight of 458.49 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide
PubChem CID3178231
Molecular FormulaC22H22N2O7S
Molecular Weight458.49 g/mol
Exact Mass458.11
IUPAC Name8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)NCC4CCCO4)cc3)c(=O)oc12
InChIInChI=1S/C22H22N2O7S/c1-29-19-6-2-4-14-12-18(22(26)31-20(14)19)21(25)24-15-7-9-17(10-8-15)32(27,28)23-13-16-5-3-11-30-16/h2,4,6-10,12,16,23H,3,5,11,13H2,1H3,(H,24,25)
InChIKeyNPFAVBUVROMOFY-UHFFFAOYSA-N
XLogP2.51
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
8-methoxy-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 754821
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 4092887
4-{[2-(Allyloxy)-3-methoxybenzyl]amino}benzenesulfonamide
CID 1817841
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate
CID 2421642
2-(3-Ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 2552959
3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 2963232
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 4234537
N-[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]-2-oxo-1-benzopyran-3-carboxamide
CID 5219389
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 5982399
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 6070913
3-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8195007

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide (CID 3178231) is 8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)NCC4CCCO4)cc3)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide?
The InChIKey is NPFAVBUVROMOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O7S/c1-29-19-6-2-4-14-12-18(22(26)31-20(14)19)21(25)24-15-7-9-17(10-8-15)32(27,28)23-13-16-5-3-11-30-16/h2,4,6-10,12,16,23H,3,5,11,13H2,1H3,(H,24,25).
What are the key properties of 8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide?
8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 3178231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).