2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

C21H22N2O6S — CID 4895545

IUPAC2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCOc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c12
InChIInChI=1S/C21H22N2O6S/c1-12-8-17(28-3)20-13(2)16(21(25)29-18(20)9-12)10-19(24)23-11-14-4-6-15(7-5-14)30(22,26)27/h4-9H,10-11H2,1-3H3,(H,23,24)(H2,22,26,27)
InChIKeyFVHQKIIRHDQDPO-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.92
Rot. Bonds6

About 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 4895545) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID4895545
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCOc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c12
InChIInChI=1S/C21H22N2O6S/c1-12-8-17(28-3)20-13(2)16(21(25)29-18(20)9-12)10-19(24)23-11-14-4-6-15(7-5-14)30(22,26)27/h4-9H,10-11H2,1-3H3,(H,23,24)(H2,22,26,27)
InChIKeyFVHQKIIRHDQDPO-UHFFFAOYSA-N
XLogP1.92
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.92
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-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 4869246
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(3-methylbutyl)acetamide
CID 4967829
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 4914133
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4975363
3,4,6-trimethyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 986536
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4837385
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4971234
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4964394
2-[[2-[[2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 73256098
N-[(4-chlorophenyl)methyl]-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4913962

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 4895545) is 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is COc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c12.
What is the InChIKey of 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is FVHQKIIRHDQDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S/c1-12-8-17(28-3)20-13(2)16(21(25)29-18(20)9-12)10-19(24)23-11-14-4-6-15(7-5-14)30(22,26)27/h4-9H,10-11H2,1-3H3,(H,23,24)(H2,22,26,27).
What are the key properties of 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 4895545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).