N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide

C21H21NO6S — CID 9353958

IUPACN-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(S(C)(=O)=O)c3)ccc12
InChIInChI=1S/C21H21NO6S/c1-3-5-14-10-21(24)28-19-12-16(8-9-18(14)19)27-13-20(23)22-15-6-4-7-17(11-15)29(2,25)26/h4,6-12H,3,5,13H2,1-2H3,(H,22,23)
InChIKeyYXPPABZRSRVHMH-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.17
Rot. Bonds7

About N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide

N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (PubChem CID 9353958) has the molecular formula C21H21NO6S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
PubChem CID9353958
Molecular FormulaC21H21NO6S
Molecular Weight415.47 g/mol
Exact Mass415.11
IUPAC NameN-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(S(C)(=O)=O)c3)ccc12
InChIInChI=1S/C21H21NO6S/c1-3-5-14-10-21(24)28-19-12-16(8-9-18(14)19)27-13-20(23)22-15-6-4-7-17(11-15)29(2,25)26/h4,6-12H,3,5,13H2,1-2H3,(H,22,23)
InChIKeyYXPPABZRSRVHMH-UHFFFAOYSA-N
XLogP3.17
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.17
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

N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353959
N-(3,4-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643484
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide
CID 42378536
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
N-(4-morpholin-4-ylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 29181189
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
3-methyl-2-[[2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]acetyl]amino]butanoic acid
CID 3716329
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (CID 9353958) is N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide is CCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(S(C)(=O)=O)c3)ccc12.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The InChIKey is YXPPABZRSRVHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6S/c1-3-5-14-10-21(24)28-19-12-16(8-9-18(14)19)27-13-20(23)22-15-6-4-7-17(11-15)29(2,25)26/h4,6-12H,3,5,13H2,1-2H3,(H,22,23).
What are the key properties of N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide has a molecular weight of 415.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 9353958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).