N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide

C24H30N4O5S — CID 75306296

IUPACN-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide
SMILESCc1[nH]c2ccccc2c1COc1ccc(S(=O)(=O)NCC(C(=O)NO)N2CCCCC2)cc1
InChIInChI=1S/C24H30N4O5S/c1-17-21(20-7-3-4-8-22(20)26-17)16-33-18-9-11-19(12-10-18)34(31,32)25-15-23(24(29)27-30)28-13-5-2-6-14-28/h3-4,7-12,23,25-26,30H,2,5-6,13-16H2,1H3,(H,27,29)
InChIKeySAUPGHHDRGJXNL-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.69
Rot. Bonds9

About N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide

N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide (PubChem CID 75306296) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide
PubChem CID75306296
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide
SMILESCc1[nH]c2ccccc2c1COc1ccc(S(=O)(=O)NCC(C(=O)NO)N2CCCCC2)cc1
InChIInChI=1S/C24H30N4O5S/c1-17-21(20-7-3-4-8-22(20)26-17)16-33-18-9-11-19(12-10-18)34(31,32)25-15-23(24(29)27-30)28-13-5-2-6-14-28/h3-4,7-12,23,25-26,30H,2,5-6,13-16H2,1H3,(H,27,29)
InChIKeySAUPGHHDRGJXNL-UHFFFAOYSA-N
XLogP2.69
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75306206
N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2-pyrrolidin-1-ylpropanamide
CID 75306134
N-hydroxy-3-[[4-(naphthalen-2-ylmethoxy)phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide
CID 75306105
2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75304025
N-[(2S)-3-(hydroxyamino)-3-oxo-2-(4-propylsulfonylpiperazin-1-yl)propyl]-4-[(2-methyl-1H-indol-3-yl)methoxy]benzamide
CID 88584775
3-[[4-[[(2S)-3-(hydroxyamino)-2-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenoxy]methyl]-2-methylindole-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 157335560
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75303849
methyl 3-[[4-(naphthalen-2-ylmethoxy)phenyl]sulfonylamino]-2-piperidin-1-ylpropanoate
CID 67494924
N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide
CID 75306239
(2S)-N-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2-(4-methylsulfonylpiperidin-1-yl)propanamide
CID 141285005
N-[3-(2-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
CID 156806659
N-[2-(azocan-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-[(5-methyl-1H-pyrazol-4-yl)methoxy]benzamide
CID 75602172

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide?
The IUPAC name of N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide (CID 75306296) is N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide.
What is the SMILES notation for N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide?
The canonical SMILES for N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide is Cc1[nH]c2ccccc2c1COc1ccc(S(=O)(=O)NCC(C(=O)NO)N2CCCCC2)cc1.
What is the InChIKey of N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide?
The InChIKey is SAUPGHHDRGJXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-17-21(20-7-3-4-8-22(20)26-17)16-33-18-9-11-19(12-10-18)34(31,32)25-15-23(24(29)27-30)28-13-5-2-6-14-28/h3-4,7-12,23,25-26,30H,2,5-6,13-16H2,1H3,(H,27,29).
What are the key properties of N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide?
N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide has a molecular weight of 486.59 g/mol, XLogP of 2.69, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 75306296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).