2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C21H22N2O6S — CID 4975363

IUPAC2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCOc1ccc2c(C)c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1
InChIInChI=1S/C21H22N2O6S/c1-13-17-8-5-15(28-2)11-19(17)29-21(25)18(13)12-20(24)23-10-9-14-3-6-16(7-4-14)30(22,26)27/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)(H2,22,26,27)
InChIKeyIWBVSROIZGTVEL-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.66
Rot. Bonds7

About 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 4975363) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID4975363
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCOc1ccc2c(C)c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1
InChIInChI=1S/C21H22N2O6S/c1-13-17-8-5-15(28-2)11-19(17)29-21(25)18(13)12-20(24)23-10-9-14-3-6-16(7-4-14)30(22,26)27/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)(H2,22,26,27)
InChIKeyIWBVSROIZGTVEL-UHFFFAOYSA-N
XLogP1.66
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4910874
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4964837
N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55898150
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 6229314
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4895545
N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4838654
N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4893034
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4837385
2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4914071
N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236159
N-[2-(4-fluorophenyl)ethyl]-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 4914330
(2R)-2-[[2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid
CID 907922

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 4975363) is 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is COc1ccc2c(C)c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1.
What is the InChIKey of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is IWBVSROIZGTVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S/c1-13-17-8-5-15(28-2)11-19(17)29-21(25)18(13)12-20(24)23-10-9-14-3-6-16(7-4-14)30(22,26)27/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)(H2,22,26,27).
What are the key properties of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 4975363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).