N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide

C19H18IN3O6S — CID 122186711

IUPACN-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide
SMILESO=C(CCCCN1C(=O)c2ccc(I)cc2S1(=O)=O)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H18IN3O6S/c20-13-6-9-15-16(11-13)30(28,29)23(19(15)26)10-2-1-3-17(24)21-14-7-4-12(5-8-14)18(25)22-27/h4-9,11,27H,1-3,10H2,(H,21,24)(H,22,25)
InChIKeyWUXADNMVPWKIBP-UHFFFAOYSA-N
MW543.34 g/mol
LogP2.36
Rot. Bonds7

About N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide

N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide (PubChem CID 122186711) has the molecular formula C19H18IN3O6S and a molecular weight of 543.34 g/mol. Its IUPAC name is N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide
PubChem CID122186711
Molecular FormulaC19H18IN3O6S
Molecular Weight543.34 g/mol
Exact Mass543.00
IUPAC NameN-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide
SMILESO=C(CCCCN1C(=O)c2ccc(I)cc2S1(=O)=O)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H18IN3O6S/c20-13-6-9-15-16(11-13)30(28,29)23(19(15)26)10-2-1-3-17(24)21-14-7-4-12(5-8-14)18(25)22-27/h4-9,11,27H,1-3,10H2,(H,21,24)(H,22,25)
InChIKeyWUXADNMVPWKIBP-UHFFFAOYSA-N
XLogP2.36
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.34
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzyl-6-nitro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
CID 620237
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
4-(3-oxo-1,2-benzothiazol-2-yl)-N-propylbenzamide
CID 16749975
acs.jmedchem.1c00409_ST.181
CID 162533685
(2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide
CID 162676069
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-isopropenylphenyl)propanamide
CID 1003709
N-(2,4-dimethylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
CID 1082868
4-(Benzenesulfonyl-methyl-amino)-N-cyclopentyl-benzamide
CID 1106330
N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4875218
4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 24978665
N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 677934
N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 968625

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide?
The IUPAC name of N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide (CID 122186711) is N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide.
What is the SMILES notation for N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide?
The canonical SMILES for N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide is O=C(CCCCN1C(=O)c2ccc(I)cc2S1(=O)=O)Nc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide?
The InChIKey is WUXADNMVPWKIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O6S/c20-13-6-9-15-16(11-13)30(28,29)23(19(15)26)10-2-1-3-17(24)21-14-7-4-12(5-8-14)18(25)22-27/h4-9,11,27H,1-3,10H2,(H,21,24)(H,22,25).
What are the key properties of N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide?
N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide has a molecular weight of 543.34 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[5-(6-iodo-1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoylamino]benzamide is sourced from PubChem (CID 122186711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).