N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide

C23H32N4O7S — CID 18973638

IUPACN-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
SMILESCCNC(=O)NS(=O)(=O)c1cc2c(cc1OCC)OCCC2CNC(=O)N1CC(C)=C(CC)C1=O
InChIInChI=1S/C23H32N4O7S/c1-5-16-14(4)13-27(21(16)28)23(30)25-12-15-8-9-34-18-11-19(33-7-3)20(10-17(15)18)35(31,32)26-22(29)24-6-2/h10-11,15H,5-9,12-13H2,1-4H3,(H,25,30)(H2,24,26,29)
InChIKeyZIHFXYXYJCFYQP-UHFFFAOYSA-N
MW508.60 g/mol
LogP2.24
Rot. Bonds8

About N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide

N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide (PubChem CID 18973638) has the molecular formula C23H32N4O7S and a molecular weight of 508.60 g/mol. Its IUPAC name is N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
PubChem CID18973638
Molecular FormulaC23H32N4O7S
Molecular Weight508.60 g/mol
Exact Mass508.20
IUPAC NameN-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
SMILESCCNC(=O)NS(=O)(=O)c1cc2c(cc1OCC)OCCC2CNC(=O)N1CC(C)=C(CC)C1=O
InChIInChI=1S/C23H32N4O7S/c1-5-16-14(4)13-27(21(16)28)23(30)25-12-15-8-9-34-18-11-19(33-7-3)20(10-17(15)18)35(31,32)26-22(29)24-6-2/h10-11,15H,5-9,12-13H2,1-4H3,(H,25,30)(H2,24,26,29)
InChIKeyZIHFXYXYJCFYQP-UHFFFAOYSA-N
XLogP2.24
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
The IUPAC name of N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide (CID 18973638) is N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide.
What is the SMILES notation for N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
The canonical SMILES for N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide is CCNC(=O)NS(=O)(=O)c1cc2c(cc1OCC)OCCC2CNC(=O)N1CC(C)=C(CC)C1=O.
What is the InChIKey of N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
The InChIKey is ZIHFXYXYJCFYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O7S/c1-5-16-14(4)13-27(21(16)28)23(30)25-12-15-8-9-34-18-11-19(33-7-3)20(10-17(15)18)35(31,32)26-22(29)24-6-2/h10-11,15H,5-9,12-13H2,1-4H3,(H,25,30)(H2,24,26,29).
What are the key properties of N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide has a molecular weight of 508.60 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-ethoxy-6-(ethylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 18973638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).