N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide

C19H24N2O8S — CID 10670761

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O8S/c1-26-14-5-7-15(8-6-14)30(24,25)21(12-18(22)20-23)11-13-9-16(27-2)19(29-4)17(10-13)28-3/h5-10,23H,11-12H2,1-4H3,(H,20,22)
InChIKeyLJWJQJURYGEEAB-UHFFFAOYSA-N
MW440.47 g/mol
LogP1.42
Rot. Bonds10

About N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide (PubChem CID 10670761) has the molecular formula C19H24N2O8S and a molecular weight of 440.47 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide
PubChem CID10670761
Molecular FormulaC19H24N2O8S
Molecular Weight440.47 g/mol
Exact Mass440.13
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O8S/c1-26-14-5-7-15(8-6-14)30(24,25)21(12-18(22)20-23)11-13-9-16(27-2)19(29-4)17(10-13)28-3/h5-10,23H,11-12H2,1-4H3,(H,20,22)
InChIKeyLJWJQJURYGEEAB-UHFFFAOYSA-N
XLogP1.42
TPSA123.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide (CID 10670761) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide?
The InChIKey is LJWJQJURYGEEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O8S/c1-26-14-5-7-15(8-6-14)30(24,25)21(12-18(22)20-23)11-13-9-16(27-2)19(29-4)17(10-13)28-3/h5-10,23H,11-12H2,1-4H3,(H,20,22).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide has a molecular weight of 440.47 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 10670761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).