N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C22H21N3O4S — CID 121363739

IUPACN-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCCNS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C22H21N3O4S/c1-2-25-30(27,28)18-5-3-4-15(10-18)12-24-22(26)16-6-7-20-19-8-9-23-13-17(19)14-29-21(20)11-16/h3-11,13,25H,2,12,14H2,1H3,(H,24,26)
InChIKeyYXPBWTSEJDZUGR-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.87
Rot. Bonds6

About N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363739) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363739
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCCNS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C22H21N3O4S/c1-2-25-30(27,28)18-5-3-4-15(10-18)12-24-22(26)16-6-7-20-19-8-9-23-13-17(19)14-29-21(20)11-16/h3-11,13,25H,2,12,14H2,1H3,(H,24,26)
InChIKeyYXPBWTSEJDZUGR-UHFFFAOYSA-N
XLogP2.87
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363739) is N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is CCNS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1.
What is the InChIKey of N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is YXPBWTSEJDZUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-2-25-30(27,28)18-5-3-4-15(10-18)12-24-22(26)16-6-7-20-19-8-9-23-13-17(19)14-29-21(20)11-16/h3-11,13,25H,2,12,14H2,1H3,(H,24,26).
What are the key properties of N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylsulfamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).