N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide

C18H18N2O5S — CID 10199401

IUPACN-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide
SMILESC#CCC(Cc1cccnc1)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O5S/c1-3-10-18(17(21)20-22,12-14-5-4-11-19-13-14)26(23,24)16-8-6-15(25-2)7-9-16/h1,4-9,11,13,22H,10,12H2,2H3,(H,20,21)
InChIKeyFVYBFRCALRJYHO-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.37
Rot. Bonds7

About N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide

N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide (PubChem CID 10199401) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide
PubChem CID10199401
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide
SMILESC#CCC(Cc1cccnc1)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O5S/c1-3-10-18(17(21)20-22,12-14-5-4-11-19-13-14)26(23,24)16-8-6-15(25-2)7-9-16/h1,4-9,11,13,22H,10,12H2,2H3,(H,20,21)
InChIKeyFVYBFRCALRJYHO-UHFFFAOYSA-N
XLogP1.37
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide?
The IUPAC name of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide (CID 10199401) is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide.
What is the SMILES notation for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide?
The canonical SMILES for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide is C#CCC(Cc1cccnc1)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide?
The InChIKey is FVYBFRCALRJYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-3-10-18(17(21)20-22,12-14-5-4-11-19-13-14)26(23,24)16-8-6-15(25-2)7-9-16/h1,4-9,11,13,22H,10,12H2,2H3,(H,20,21).
What are the key properties of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide?
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide has a molecular weight of 374.42 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynamide is sourced from PubChem (CID 10199401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).