N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide

C25H31N5O5S — CID 58016089

IUPACN-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccc(NS(=O)(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C25H31N5O5S/c1-2-3-8-18(16-29(33)17-31)25(32)30-14-7-11-23(30)24-26-21-13-12-19(15-22(21)27-24)28-36(34,35)20-9-5-4-6-10-20/h4-6,9-10,12-13,15,17-18,23,28,33H,2-3,7-8,11,14,16H2,1H3,(H,26,27)/t18-,23+/m1/s1
InChIKeyVAYGFORQROLUKI-JPYJTQIMSA-N
MW513.62 g/mol
LogP3.68
Rot. Bonds11

About N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide

N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide (PubChem CID 58016089) has the molecular formula C25H31N5O5S and a molecular weight of 513.62 g/mol. Its IUPAC name is N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
PubChem CID58016089
Molecular FormulaC25H31N5O5S
Molecular Weight513.62 g/mol
Exact Mass513.20
IUPAC NameN-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccc(NS(=O)(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C25H31N5O5S/c1-2-3-8-18(16-29(33)17-31)25(32)30-14-7-11-23(30)24-26-21-13-12-19(15-22(21)27-24)28-36(34,35)20-9-5-4-6-10-20/h4-6,9-10,12-13,15,17-18,23,28,33H,2-3,7-8,11,14,16H2,1H3,(H,26,27)/t18-,23+/m1/s1
InChIKeyVAYGFORQROLUKI-JPYJTQIMSA-N
XLogP3.68
TPSA135.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide 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

N-[(2R)-2-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 58016156
N-[(2S)-2-[(2S)-2-(6-amino-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 87682944
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 87681024
N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 143500352
N-[(2R)-2-[(2S)-2-(7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 58016155
N-[(2S)-3-[(2S)-2-(1H-benzo[f]benzimidazol-2-yl)pyrrolidin-1-yl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 87681314
N-[(2S)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 87680112
N-[2-[2-(1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]heptyl]-N-hydroxyformamide
CID 75073607
N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 58016170
N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 87636537
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 25188984
4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 55453222

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide (CID 58016089) is N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide is CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccc(NS(=O)(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide?
The InChIKey is VAYGFORQROLUKI-JPYJTQIMSA-N. The full InChI is InChI=1S/C25H31N5O5S/c1-2-3-8-18(16-29(33)17-31)25(32)30-14-7-11-23(30)24-26-21-13-12-19(15-22(21)27-24)28-36(34,35)20-9-5-4-6-10-20/h4-6,9-10,12-13,15,17-18,23,28,33H,2-3,7-8,11,14,16H2,1H3,(H,26,27)/t18-,23+/m1/s1.
What are the key properties of N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide?
N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide has a molecular weight of 513.62 g/mol, XLogP of 3.68, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide is sourced from PubChem (CID 58016089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).