2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide

C25H29N3O5S — CID 21310753

IUPAC2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(CN(C)C)cc2)c2c(C)cccc2C(=O)NO)cc1
InChIInChI=1S/C25H29N3O5S/c1-18-6-5-7-23(25(29)26-30)24(18)28(17-20-10-8-19(9-11-20)16-27(2)3)34(31,32)22-14-12-21(33-4)13-15-22/h5-15,30H,16-17H2,1-4H3,(H,26,29)
InChIKeyLYVGWVHFXOYMDJ-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.58
Rot. Bonds9

About 2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide

2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide (PubChem CID 21310753) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide.

Molecular Properties

Compound Name2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide
PubChem CID21310753
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(CN(C)C)cc2)c2c(C)cccc2C(=O)NO)cc1
InChIInChI=1S/C25H29N3O5S/c1-18-6-5-7-23(25(29)26-30)24(18)28(17-20-10-8-19(9-11-20)16-27(2)3)34(31,32)22-14-12-21(33-4)13-15-22/h5-15,30H,16-17H2,1-4H3,(H,26,29)
InChIKeyLYVGWVHFXOYMDJ-UHFFFAOYSA-N
XLogP3.58
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.58
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide?
The IUPAC name of 2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide (CID 21310753) is 2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide.
What is the SMILES notation for 2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide?
The canonical SMILES for 2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide is COc1ccc(S(=O)(=O)N(Cc2ccc(CN(C)C)cc2)c2c(C)cccc2C(=O)NO)cc1.
What is the InChIKey of 2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide?
The InChIKey is LYVGWVHFXOYMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-18-6-5-7-23(25(29)26-30)24(18)28(17-20-10-8-19(9-11-20)16-27(2)3)34(31,32)22-14-12-21(33-4)13-15-22/h5-15,30H,16-17H2,1-4H3,(H,26,29).
What are the key properties of 2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide?
2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide has a molecular weight of 483.59 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(dimethylamino)methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbenzamide is sourced from PubChem (CID 21310753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).