3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide

C25H23N3O6S — CID 21310790

IUPAC3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cc(C)cc2-c2ccco2)cc1
InChIInChI=1S/C25H23N3O6S/c1-17-13-21(23-6-4-12-34-23)24(22(14-17)25(29)27-30)28(16-18-5-3-11-26-15-18)35(31,32)20-9-7-19(33-2)8-10-20/h3-15,30H,16H2,1-2H3,(H,27,29)
InChIKeyCBKKHHSQVZVIBM-UHFFFAOYSA-N
MW493.54 g/mol
LogP4.17
Rot. Bonds8

About 3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide

3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide (PubChem CID 21310790) has the molecular formula C25H23N3O6S and a molecular weight of 493.54 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide
PubChem CID21310790
Molecular FormulaC25H23N3O6S
Molecular Weight493.54 g/mol
Exact Mass493.13
IUPAC Name3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cc(C)cc2-c2ccco2)cc1
InChIInChI=1S/C25H23N3O6S/c1-17-13-21(23-6-4-12-34-23)24(22(14-17)25(29)27-30)28(16-18-5-3-11-26-15-18)35(31,32)20-9-7-19(33-2)8-10-20/h3-15,30H,16H2,1-2H3,(H,27,29)
InChIKeyCBKKHHSQVZVIBM-UHFFFAOYSA-N
XLogP4.17
TPSA121.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Way-151693
CID 4368
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-5-naphthalen-2-yl-benzamide
CID 44309329
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-[3-(trifluoromethyl)phenyl]benzamide
CID 44309330
4-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-6-(trifluoromethyl)quinoline-3-carboxamide
CID 10165420
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3,5-dimethyl-benzamide
CID 21310829
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-phenylbenzamide
CID 44309437
methyl 3-(hydroxycarbamoyl)-2-(4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)benzoate
CID 44316157
N-Hydroxy-3-methyl-2-{methyl-[4-(pyridin-4-yloxy)-benzenesulfonyl]-amino}-benzamide
CID 10093147
5-Bromo-N-hydroxy-3-methyl-2-{methyl-[4-(pyridin-3-ylmethoxy)-benzenesulfonyl]-amino}-benzamide
CID 44272455
N-hydroxy-4-(4-methoxy-N-methylphenylsulfonamido)-8-vinylquinoline-3-carboxamide
CID 44283598
N-hydroxy-2-(4''-methoxy-N-(pyridin-3-ylmethyl)biphenyl-4-ylsulfonamido)-3-methylbenzamide
CID 44309531
N-Hydroxy-2-{methyl-[4-(pyridin-4-yloxy)-benzenesulfonyl]-amino}-benzamide
CID 44309532

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide?
The IUPAC name of 3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide (CID 21310790) is 3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide.
What is the SMILES notation for 3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide?
The canonical SMILES for 3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide is COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cc(C)cc2-c2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide?
The InChIKey is CBKKHHSQVZVIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6S/c1-17-13-21(23-6-4-12-34-23)24(22(14-17)25(29)27-30)28(16-18-5-3-11-26-15-18)35(31,32)20-9-7-19(33-2)8-10-20/h3-15,30H,16H2,1-2H3,(H,27,29).
What are the key properties of 3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide?
3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide has a molecular weight of 493.54 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-5-methylbenzamide is sourced from PubChem (CID 21310790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).