methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate

C23H26N2O5S — CID 163705985

IUPACmethyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate
SMILESCCc1ccc(S(=O)(=O)NCCc2ccc(OC3=CCNC=C3)cc2)cc1C(=O)OC
InChIInChI=1S/C23H26N2O5S/c1-3-18-6-9-21(16-22(18)23(26)29-2)31(27,28)25-15-10-17-4-7-19(8-5-17)30-20-11-13-24-14-12-20/h4-9,11-13,16,24-25H,3,10,14-15H2,1-2H3
InChIKeyKFCWDVAKMBFUBJ-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.94
Rot. Bonds9

About methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate

methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate (PubChem CID 163705985) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate.

Molecular Properties

Compound Namemethyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate
PubChem CID163705985
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Namemethyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate
SMILESCCc1ccc(S(=O)(=O)NCCc2ccc(OC3=CCNC=C3)cc2)cc1C(=O)OC
InChIInChI=1S/C23H26N2O5S/c1-3-18-6-9-21(16-22(18)23(26)29-2)31(27,28)25-15-10-17-4-7-19(8-5-17)30-20-11-13-24-14-12-20/h4-9,11-13,16,24-25H,3,10,14-15H2,1-2H3
InChIKeyKFCWDVAKMBFUBJ-UHFFFAOYSA-N
XLogP2.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate with MolForge

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Related Compounds

methyl 5-[2-[4-(3,4-difluorophenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoate
CID 11959212
methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
CID 100557630
methyl 2-ethyl-5-[2-[4-(trifluoromethoxy)phenyl]sulfanylethylsulfamoyl]benzoate;molecular hydrogen
CID 161044678
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid
CID 11655168
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
CID 22551871
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 31541259

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate?
The IUPAC name of methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate (CID 163705985) is methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate.
What is the SMILES notation for methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate?
The canonical SMILES for methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate is CCc1ccc(S(=O)(=O)NCCc2ccc(OC3=CCNC=C3)cc2)cc1C(=O)OC.
What is the InChIKey of methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate?
The InChIKey is KFCWDVAKMBFUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-3-18-6-9-21(16-22(18)23(26)29-2)31(27,28)25-15-10-17-4-7-19(8-5-17)30-20-11-13-24-14-12-20/h4-9,11-13,16,24-25H,3,10,14-15H2,1-2H3.
What are the key properties of methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate?
methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate has a molecular weight of 442.54 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[4-(1,2-dihydropyridin-4-yloxy)phenyl]ethylsulfamoyl]-2-ethylbenzoate is sourced from PubChem (CID 163705985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).