5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide

C22H22N2O6S — CID 39576917

IUPAC5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C22H22N2O6S/c25-22(20-9-10-21(30-20)31(26,27)24-11-13-28-14-12-24)23-16-17-5-4-8-19(15-17)29-18-6-2-1-3-7-18/h1-10,15H,11-14,16H2,(H,23,25)
InChIKeyRWXOEBHXFZFRIC-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.02
Rot. Bonds7

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

5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 39576917) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide
PubChem CID39576917
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C22H22N2O6S/c25-22(20-9-10-21(30-20)31(26,27)24-11-13-28-14-12-24)23-16-17-5-4-8-19(15-17)29-18-6-2-1-3-7-18/h1-10,15H,11-14,16H2,(H,23,25)
InChIKeyRWXOEBHXFZFRIC-UHFFFAOYSA-N
XLogP3.02
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 46470216
5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)furan-2-carboxamide
CID 30233770
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633664
N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 46466417
(4R)-4-morpholin-4-yl-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 125164955
N-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 35993608
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18104587
N-[2-(dimethylamino)ethyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 110476324
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112528608
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide (CID 39576917) is 5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide is O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(S(=O)(=O)N2CCOCC2)o1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is RWXOEBHXFZFRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c25-22(20-9-10-21(30-20)31(26,27)24-11-13-28-14-12-24)23-16-17-5-4-8-19(15-17)29-18-6-2-1-3-7-18/h1-10,15H,11-14,16H2,(H,23,25).
What are the key properties of 5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide?
5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 39576917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).