ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate

C32H35N3O8S — CID 169146948

IUPACethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccnc(OCC3(S(=O)(=O)N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)CC3)c2n(C)c1=O
InChIInChI=1S/C32H35N3O8S/c1-5-42-31(37)27-18-24-14-17-33-29(28(24)34(2)30(27)36)43-21-32(15-16-32)44(38,39)35(19-22-6-10-25(40-3)11-7-22)20-23-8-12-26(41-4)13-9-23/h6-14,17-18H,5,15-16,19-21H2,1-4H3
InChIKeyOYFVCTHUENJYNI-UHFFFAOYSA-N
MW621.71 g/mol
LogP4.07
Rot. Bonds13

About ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate

ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate (PubChem CID 169146948) has the molecular formula C32H35N3O8S and a molecular weight of 621.71 g/mol. Its IUPAC name is ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate
PubChem CID169146948
Molecular FormulaC32H35N3O8S
Molecular Weight621.71 g/mol
Exact Mass621.21
IUPAC Nameethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccnc(OCC3(S(=O)(=O)N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)CC3)c2n(C)c1=O
InChIInChI=1S/C32H35N3O8S/c1-5-42-31(37)27-18-24-14-17-33-29(28(24)34(2)30(27)36)43-21-32(15-16-32)44(38,39)35(19-22-6-10-25(40-3)11-7-22)20-23-8-12-26(41-4)13-9-23/h6-14,17-18H,5,15-16,19-21H2,1-4H3
InChIKeyOYFVCTHUENJYNI-UHFFFAOYSA-N
XLogP4.07
TPSA126.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.71
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate with MolForge

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Related Compounds

8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147270
8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 169147277
ethyl 1-methyl-8-[[1-(2-methylbut-3-en-2-ylsulfonyl)cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxylate
CID 169147462
N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147204
8-[[1-[tert-butyl(methyl)amino]sulfanylcyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169146998
ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate
CID 169147097
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
4-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methyl]-N-[(6-cyano-3-pyridinyl)methyl]-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
CID 169147048
ethyl 4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]benzoate
CID 46371574
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
ethyl 2-[(4-methoxyphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3919771

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate (CID 169146948) is ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate is CCOC(=O)c1cc2ccnc(OCC3(S(=O)(=O)N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)CC3)c2n(C)c1=O.
What is the InChIKey of ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate?
The InChIKey is OYFVCTHUENJYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O8S/c1-5-42-31(37)27-18-24-14-17-33-29(28(24)34(2)30(27)36)43-21-32(15-16-32)44(38,39)35(19-22-6-10-25(40-3)11-7-22)20-23-8-12-26(41-4)13-9-23/h6-14,17-18H,5,15-16,19-21H2,1-4H3.
What are the key properties of ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate?
ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate has a molecular weight of 621.71 g/mol, XLogP of 4.07, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 169146948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).