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

C21H21NO6S — CID 9353959

IUPACN-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3S(C)(=O)=O)ccc12
InChIInChI=1S/C21H21NO6S/c1-3-6-14-11-21(24)28-18-12-15(9-10-16(14)18)27-13-20(23)22-17-7-4-5-8-19(17)29(2,25)26/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,23)
InChIKeyVFYAZAWYMXBDRS-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.17
Rot. Bonds7

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

N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (PubChem CID 9353959) has the molecular formula C21H21NO6S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
PubChem CID9353959
Molecular FormulaC21H21NO6S
Molecular Weight415.47 g/mol
Exact Mass415.11
IUPAC NameN-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3S(C)(=O)=O)ccc12
InChIInChI=1S/C21H21NO6S/c1-3-6-14-11-21(24)28-18-12-15(9-10-16(14)18)27-13-20(23)22-17-7-4-5-8-19(17)29(2,25)26/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,23)
InChIKeyVFYAZAWYMXBDRS-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-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353958
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402692
N-(3,4-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643484
2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 42378552
2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide
CID 9137896
N-(4-morpholin-4-ylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 29181189
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4906159
N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide
CID 42378536
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
3-methyl-2-[[2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]acetyl]amino]butanoic acid
CID 3716329

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (CID 9353959) is N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide is CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3S(C)(=O)=O)ccc12.
What is the InChIKey of N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The InChIKey is VFYAZAWYMXBDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6S/c1-3-6-14-11-21(24)28-18-12-15(9-10-16(14)18)27-13-20(23)22-17-7-4-5-8-19(17)29(2,25)26/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,23).
What are the key properties of N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
N-(2-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-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 9353959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).