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

C20H22N2O4S — CID 88851116

IUPACN-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc3[nH]ccc3c2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H22N2O4S/c1-20(19(23)22-24,27(2,25)26)11-9-14-3-5-15(6-4-14)16-7-8-18-17(13-16)10-12-21-18/h3-8,10,12-13,21,24H,9,11H2,1-2H3,(H,22,23)
InChIKeyZQWXJRYACXVYDY-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.08
Rot. Bonds6

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

N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88851116) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID88851116
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc3[nH]ccc3c2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H22N2O4S/c1-20(19(23)22-24,27(2,25)26)11-9-14-3-5-15(6-4-14)16-7-8-18-17(13-16)10-12-21-18/h3-8,10,12-13,21,24H,9,11H2,1-2H3,(H,22,23)
InChIKeyZQWXJRYACXVYDY-UHFFFAOYSA-N
XLogP3.08
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide (CID 88851116) is N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(-c2ccc3[nH]ccc3c2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is ZQWXJRYACXVYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-20(19(23)22-24,27(2,25)26)11-9-14-3-5-15(6-4-14)16-7-8-18-17(13-16)10-12-21-18/h3-8,10,12-13,21,24H,9,11H2,1-2H3,(H,22,23).
What are the key properties of N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 386.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(1H-indol-5-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88851116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).