7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide

C21H22N2O7S — CID 52931843

IUPAC7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3C)c(=O)oc2c1OC(C)C
InChIInChI=1S/C21H22N2O7S/c1-11(2)29-19-17(28-4)8-5-13-10-15(21(25)30-18(13)19)20(24)23-16-7-6-14(9-12(16)3)31(22,26)27/h5-11H,1-4H3,(H,23,24)(H2,22,26,27)
InChIKeyTYMTVCVZIZRYCD-UHFFFAOYSA-N
MW446.48 g/mol
LogP2.80
Rot. Bonds6

About 7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide

7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide (PubChem CID 52931843) has the molecular formula C21H22N2O7S and a molecular weight of 446.48 g/mol. Its IUPAC name is 7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide
PubChem CID52931843
Molecular FormulaC21H22N2O7S
Molecular Weight446.48 g/mol
Exact Mass446.11
IUPAC Name7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3C)c(=O)oc2c1OC(C)C
InChIInChI=1S/C21H22N2O7S/c1-11(2)29-19-17(28-4)8-5-13-10-15(21(25)30-18(13)19)20(24)23-16-7-6-14(9-12(16)3)31(22,26)27/h5-11H,1-4H3,(H,23,24)(H2,22,26,27)
InChIKeyTYMTVCVZIZRYCD-UHFFFAOYSA-N
XLogP2.80
TPSA137.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 52.80
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

8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide
CID 52931842
N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide
CID 87679955
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932448
N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932243
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-8-(2-methylpropoxy)-2-oxochromene-3-carboxamide
CID 87589481
8-butan-2-yloxy-N-[4-[(2-hydroxyethylamino)methyl]phenyl]-7-methoxy-2-oxochromene-3-carboxamide
CID 87600047
N-[4-(2-amino-1-hydroxyethyl)phenyl]-8-ethoxy-7-methoxy-2-oxochromene-3-carboxamide
CID 87589006
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
2,5-dichloro-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965296
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide?
The IUPAC name of 7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide (CID 52931843) is 7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide is COc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3C)c(=O)oc2c1OC(C)C.
What is the InChIKey of 7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide?
The InChIKey is TYMTVCVZIZRYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O7S/c1-11(2)29-19-17(28-4)8-5-13-10-15(21(25)30-18(13)19)20(24)23-16-7-6-14(9-12(16)3)31(22,26)27/h5-11H,1-4H3,(H,23,24)(H2,22,26,27).
What are the key properties of 7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide?
7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide is sourced from PubChem (CID 52931843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).