N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C20H19ClN2O6S — CID 3930215

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)ccc12
InChIInChI=1S/C20H19ClN2O6S/c1-12-8-20(25)29-17-10-14(5-6-15(12)17)28-11-19(24)22-13-4-7-16(21)18(9-13)30(26,27)23(2)3/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyBTAQPMIFNCVAIG-UHFFFAOYSA-N
MW450.90 g/mol
LogP3.02
Rot. Bonds6

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 3930215) has the molecular formula C20H19ClN2O6S and a molecular weight of 450.90 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID3930215
Molecular FormulaC20H19ClN2O6S
Molecular Weight450.90 g/mol
Exact Mass450.07
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)ccc12
InChIInChI=1S/C20H19ClN2O6S/c1-12-8-20(25)29-17-10-14(5-6-15(12)17)28-11-19(24)22-13-4-7-16(21)18(9-13)30(26,27)23(2)3/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyBTAQPMIFNCVAIG-UHFFFAOYSA-N
XLogP3.02
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 53.02
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

2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55340959
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2098370
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844259
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 108743056
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4673261
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2367621
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 3930215) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)ccc12.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is BTAQPMIFNCVAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O6S/c1-12-8-20(25)29-17-10-14(5-6-15(12)17)28-11-19(24)22-13-4-7-16(21)18(9-13)30(26,27)23(2)3/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 450.90 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 3930215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).