N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide

C20H23N3O5S — CID 90116303

IUPACN-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
SMILESCc1cc2cc(-c3ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)ccc2[nH]1
InChIInChI=1S/C20H23N3O5S/c1-13-10-16-11-14(4-5-17(16)21-13)15-6-8-23(18(24)12-15)9-7-20(2,19(25)22-26)29(3,27)28/h4-6,8,10-12,21,26H,7,9H2,1-3H3,(H,22,25)
InChIKeyROBVKEXXUDBQEP-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.00
Rot. Bonds6

About N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide

N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide (PubChem CID 90116303) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
PubChem CID90116303
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
SMILESCc1cc2cc(-c3ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)ccc2[nH]1
InChIInChI=1S/C20H23N3O5S/c1-13-10-16-11-14(4-5-17(16)21-13)15-6-8-23(18(24)12-15)9-7-20(2,19(25)22-26)29(3,27)28/h4-6,8,10-12,21,26H,7,9H2,1-3H3,(H,22,25)
InChIKeyROBVKEXXUDBQEP-UHFFFAOYSA-N
XLogP2.00
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.00
H-Bond Donors ≤ 53
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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Related Compounds

(E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide
CID 53464764
(2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 88851087
N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 88851116
(E)-N-hydroxy-3-[4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]sulfamoyl]phenyl]prop-2-enamide
CID 118712705
(E)-3-[4-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 118712706
(3Z)-3-[[3-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-5-(ethylsulfonylmethyl)-1H-indol-2-one
CID 44299403
US10660877, Example 608
CID 134329559
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide
CID 56880968
2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 71859701
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxido-2,3-dihydro-3-thienyl)acetamide
CID 70767278
3-[[3-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-5-(methylsulfonylmethyl)-1H-indol-2-one
CID 49823509
(1H-indol-5-yl)(4-(isobutylsulfonyl)piperidin-1-yl)methanone
CID 76148483

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide (CID 90116303) is N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide is Cc1cc2cc(-c3ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)ccc2[nH]1.
What is the InChIKey of N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The InChIKey is ROBVKEXXUDBQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13-10-16-11-14(4-5-17(16)21-13)15-6-8-23(18(24)12-15)9-7-20(2,19(25)22-26)29(3,27)28/h4-6,8,10-12,21,26H,7,9H2,1-3H3,(H,22,25).
What are the key properties of N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide has a molecular weight of 417.49 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).