8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide

C23H28N2O5S — CID 55759184

IUPAC8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)=C2
InChIInChI=1S/C23H28N2O5S/c1-4-29-21-11-7-10-17-12-20(14-30-22(17)21)23(26)24-13-18-8-5-6-9-19(18)15-31(27,28)25-16(2)3/h5-12,16,25H,4,13-15H2,1-3H3,(H,24,26)
InChIKeyOOPCUELCTYRHEL-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.01
Rot. Bonds9

About 8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide

8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide (PubChem CID 55759184) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is 8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
PubChem CID55759184
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)=C2
InChIInChI=1S/C23H28N2O5S/c1-4-29-21-11-7-10-17-12-20(14-30-22(17)21)23(26)24-13-18-8-5-6-9-19(18)15-31(27,28)25-16(2)3/h5-12,16,25H,4,13-15H2,1-3H3,(H,24,26)
InChIKeyOOPCUELCTYRHEL-UHFFFAOYSA-N
XLogP3.01
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 55718017
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CID 51122093
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111881463
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
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2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
8-ethoxy-N-[furan-2-yl(phenyl)methyl]-2H-chromene-3-carboxamide
CID 55759749
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 55712547
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide
CID 124843907
8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide
CID 51127392

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide (CID 55759184) is 8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide is CCOc1cccc2c1OCC(C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)=C2.
What is the InChIKey of 8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide?
The InChIKey is OOPCUELCTYRHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-4-29-21-11-7-10-17-12-20(14-30-22(17)21)23(26)24-13-18-8-5-6-9-19(18)15-31(27,28)25-16(2)3/h5-12,16,25H,4,13-15H2,1-3H3,(H,24,26).
What are the key properties of 8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide?
8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide has a molecular weight of 444.55 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 55759184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).