5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide

C22H21BrN2O6S — CID 19450312

IUPAC5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C22H21BrN2O6S/c23-19-3-1-2-4-20(19)30-15-17-7-10-21(31-17)22(26)24-16-5-8-18(9-6-16)32(27,28)25-11-13-29-14-12-25/h1-10H,11-15H2,(H,24,26)
InChIKeyPLKRFIVYNDKDLT-UHFFFAOYSA-N
MW521.39 g/mol
LogP3.89
Rot. Bonds7

About 5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide (PubChem CID 19450312) has the molecular formula C22H21BrN2O6S and a molecular weight of 521.39 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
PubChem CID19450312
Molecular FormulaC22H21BrN2O6S
Molecular Weight521.39 g/mol
Exact Mass520.03
IUPAC Name5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C22H21BrN2O6S/c23-19-3-1-2-4-20(19)30-15-17-7-10-21(31-17)22(26)24-16-5-8-18(9-6-16)32(27,28)25-11-13-29-14-12-25/h1-10H,11-15H2,(H,24,26)
InChIKeyPLKRFIVYNDKDLT-UHFFFAOYSA-N
XLogP3.89
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19446868
5-[(4-ethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19446653
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38887347
5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide
CID 19450369
5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-4-ium-1-yl)furan-2-carboxamide
CID 4748985
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
CID 17342731
2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4960655
5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19450276
4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406021
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide (CID 19450312) is 5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is PLKRFIVYNDKDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O6S/c23-19-3-1-2-4-20(19)30-15-17-7-10-21(31-17)22(26)24-16-5-8-18(9-6-16)32(27,28)25-11-13-29-14-12-25/h1-10H,11-15H2,(H,24,26).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 521.39 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19450312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).