5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide

C22H23N3O6S — CID 46470216

IUPAC5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C22H23N3O6S/c26-22(20-7-8-21(31-20)32(27,28)25-10-12-29-13-11-25)24-15-17-4-3-6-19(14-17)30-16-18-5-1-2-9-23-18/h1-9,14H,10-13,15-16H2,(H,24,26)
InChIKeyPIFWJGKRIASWEP-UHFFFAOYSA-N
MW457.51 g/mol
LogP2.20
Rot. Bonds8

About 5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide

5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide (PubChem CID 46470216) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
PubChem CID46470216
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC Name5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C22H23N3O6S/c26-22(20-7-8-21(31-20)32(27,28)25-10-12-29-13-11-25)24-15-17-4-3-6-19(14-17)30-16-18-5-1-2-9-23-18/h1-9,14H,10-13,15-16H2,(H,24,26)
InChIKeyPIFWJGKRIASWEP-UHFFFAOYSA-N
XLogP2.20
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide
CID 39576917
5-(methoxymethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78875904
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46470158
5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)furan-2-carboxamide
CID 30233770
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46467134
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633664
5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46470172
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55714430
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
2-(2-chlorophenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46590568
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112528608

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide (CID 46470216) is 5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide is O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(S(=O)(=O)N2CCOCC2)o1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide?
The InChIKey is PIFWJGKRIASWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S/c26-22(20-7-8-21(31-20)32(27,28)25-10-12-29-13-11-25)24-15-17-4-3-6-19(14-17)30-16-18-5-1-2-9-23-18/h1-9,14H,10-13,15-16H2,(H,24,26).
What are the key properties of 5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide?
5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 46470216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).