5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide

C22H22ClN3O6S — CID 18476513

IUPAC5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
SMILESCNC(=O)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1-c1ccco1
InChIInChI=1S/C22H22ClN3O6S/c1-24-22(28)26-33(29,30)20-12-14(5-7-16(20)19-4-3-11-32-19)9-10-25-21(27)17-13-15(23)6-8-18(17)31-2/h3-8,11-13H,9-10H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeySRMKGAOPNYSIQY-UHFFFAOYSA-N
MW491.95 g/mol
LogP3.20
Rot. Bonds8

About 5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide

5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide (PubChem CID 18476513) has the molecular formula C22H22ClN3O6S and a molecular weight of 491.95 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
PubChem CID18476513
Molecular FormulaC22H22ClN3O6S
Molecular Weight491.95 g/mol
Exact Mass491.09
IUPAC Name5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
SMILESCNC(=O)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1-c1ccco1
InChIInChI=1S/C22H22ClN3O6S/c1-24-22(28)26-33(29,30)20-12-14(5-7-16(20)19-4-3-11-32-19)9-10-25-21(27)17-13-15(23)6-8-18(17)31-2/h3-8,11-13H,9-10H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeySRMKGAOPNYSIQY-UHFFFAOYSA-N
XLogP3.20
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide (CID 18476513) is 5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide is CNC(=O)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1-c1ccco1.
What is the InChIKey of 5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide?
The InChIKey is SRMKGAOPNYSIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O6S/c1-24-22(28)26-33(29,30)20-12-14(5-7-16(20)19-4-3-11-32-19)9-10-25-21(27)17-13-15(23)6-8-18(17)31-2/h3-8,11-13H,9-10H2,1-2H3,(H,25,27)(H2,24,26,28).
What are the key properties of 5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide?
5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide has a molecular weight of 491.95 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 18476513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).