[6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate

C22H21N3O8S — CID 54048719

IUPAC[6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate
SMILESCOc1ccc(S(=O)(=O)N2Cc3ccoc3C(OC(=O)Nc3ccccc3)C2C(=O)NO)cc1
InChIInChI=1S/C22H21N3O8S/c1-31-16-7-9-17(10-8-16)34(29,30)25-13-14-11-12-32-19(14)20(18(25)21(26)24-28)33-22(27)23-15-5-3-2-4-6-15/h2-12,18,20,28H,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyLRJDWZZQOLXVCS-UHFFFAOYSA-N
MW487.49 g/mol
LogP2.66
Rot. Bonds6

About [6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate

[6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate (PubChem CID 54048719) has the molecular formula C22H21N3O8S and a molecular weight of 487.49 g/mol. Its IUPAC name is [6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate
PubChem CID54048719
Molecular FormulaC22H21N3O8S
Molecular Weight487.49 g/mol
Exact Mass487.10
IUPAC Name[6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate
SMILESCOc1ccc(S(=O)(=O)N2Cc3ccoc3C(OC(=O)Nc3ccccc3)C2C(=O)NO)cc1
InChIInChI=1S/C22H21N3O8S/c1-31-16-7-9-17(10-8-16)34(29,30)25-13-14-11-12-32-19(14)20(18(25)21(26)24-28)33-22(27)23-15-5-3-2-4-6-15/h2-12,18,20,28H,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyLRJDWZZQOLXVCS-UHFFFAOYSA-N
XLogP2.66
TPSA147.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl] N-propan-2-ylcarbamate
CID 54155630
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4229
(3R)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10761128
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide
CID 169284552
2-(benzenesulfonyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 53091295
(3S)-2-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075439
1-[8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-phenylurea
CID 644582
(3aS,4R,7R,7aR)-N,7-dihydroxy-5-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
CID 58866164
[2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepin-3-yl]carbamic acid
CID 18689643
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(4-methylpiperazin-1-yl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 101199613
1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 169284615

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate?
The IUPAC name of [6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate (CID 54048719) is [6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate.
What is the SMILES notation for [6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate?
The canonical SMILES for [6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate is COc1ccc(S(=O)(=O)N2Cc3ccoc3C(OC(=O)Nc3ccccc3)C2C(=O)NO)cc1.
What is the InChIKey of [6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate?
The InChIKey is LRJDWZZQOLXVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O8S/c1-31-16-7-9-17(10-8-16)34(29,30)25-13-14-11-12-32-19(14)20(18(25)21(26)24-28)33-22(27)23-15-5-3-2-4-6-15/h2-12,18,20,28H,13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of [6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate?
[6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate has a molecular weight of 487.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-7-yl] N-phenylcarbamate is sourced from PubChem (CID 54048719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).