(2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide

C24H29N5O6S — CID 10229563

IUPAC(2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide
SMILESCN1CCN(c2ccc(S(=O)(=O)N[C@H](CCCN3C(=O)c4ccccc4C3=O)C(=O)NO)cc2)CC1
InChIInChI=1S/C24H29N5O6S/c1-27-13-15-28(16-14-27)17-8-10-18(11-9-17)36(34,35)26-21(22(30)25-33)7-4-12-29-23(31)19-5-2-3-6-20(19)24(29)32/h2-3,5-6,8-11,21,26,33H,4,7,12-16H2,1H3,(H,25,30)/t21-/m1/s1
InChIKeyDIDAWZVOEFNSBW-OAQYLSRUSA-N
MW515.59 g/mol
LogP0.67
Rot. Bonds9

About (2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide

(2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide (PubChem CID 10229563) has the molecular formula C24H29N5O6S and a molecular weight of 515.59 g/mol. Its IUPAC name is (2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide
PubChem CID10229563
Molecular FormulaC24H29N5O6S
Molecular Weight515.59 g/mol
Exact Mass515.18
IUPAC Name(2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide
SMILESCN1CCN(c2ccc(S(=O)(=O)N[C@H](CCCN3C(=O)c4ccccc4C3=O)C(=O)NO)cc2)CC1
InChIInChI=1S/C24H29N5O6S/c1-27-13-15-28(16-14-27)17-8-10-18(11-9-17)36(34,35)26-21(22(30)25-33)7-4-12-29-23(31)19-5-2-3-6-20(19)24(29)32/h2-3,5-6,8-11,21,26,33H,4,7,12-16H2,1H3,(H,25,30)/t21-/m1/s1
InChIKeyDIDAWZVOEFNSBW-OAQYLSRUSA-N
XLogP0.67
TPSA139.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.59
LogP ≤ 50.67
H-Bond Donors ≤ 53
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide 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

(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-5-(1,3-dioxoisoindol-2-yl)pentanoic acid
CID 54443289
4-(1,3-dioxoisoindol-2-yl)-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 18682832
N-[4-[[(2R)-1-(hydroxyamino)-1-oxo-5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentan-2-yl]sulfamoyl]phenyl]-4-methoxybenzamide
CID 54310983
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110407023
(2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide
CID 164676175
(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-5-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 59879552
3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
CID 58835331
4-methyl-N-[4-methylsulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide
CID 46652432
3-(1,3-dioxoisoindol-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752768
(2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide
CID 18727269
(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid
CID 22795885
(2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide
CID 20646766

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide?
The IUPAC name of (2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide (CID 10229563) is (2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide.
What is the SMILES notation for (2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide?
The canonical SMILES for (2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide is CN1CCN(c2ccc(S(=O)(=O)N[C@H](CCCN3C(=O)c4ccccc4C3=O)C(=O)NO)cc2)CC1.
What is the InChIKey of (2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide?
The InChIKey is DIDAWZVOEFNSBW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N5O6S/c1-27-13-15-28(16-14-27)17-8-10-18(11-9-17)36(34,35)26-21(22(30)25-33)7-4-12-29-23(31)19-5-2-3-6-20(19)24(29)32/h2-3,5-6,8-11,21,26,33H,4,7,12-16H2,1H3,(H,25,30)/t21-/m1/s1.
What are the key properties of (2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide?
(2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide has a molecular weight of 515.59 g/mol, XLogP of 0.67, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide is sourced from PubChem (CID 10229563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).