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

C20H22N2O4S — CID 88851087

IUPAC(2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1ccc(-c2cc3ccccc3[nH]2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H22N2O4S/c1-20(19(23)22-24,27(2,25)26)12-11-14-7-9-15(10-8-14)18-13-16-5-3-4-6-17(16)21-18/h3-10,13,21,24H,11-12H2,1-2H3,(H,22,23)/t20-/m1/s1
InChIKeyNEYIEJYRKVDVFP-HXUWFJFHSA-N
MW386.47 g/mol
LogP3.08
Rot. Bonds6

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

(2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88851087) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID88851087
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name(2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1ccc(-c2cc3ccccc3[nH]2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H22N2O4S/c1-20(19(23)22-24,27(2,25)26)12-11-14-7-9-15(10-8-14)18-13-16-5-3-4-6-17(16)21-18/h3-10,13,21,24H,11-12H2,1-2H3,(H,22,23)/t20-/m1/s1
InChIKeyNEYIEJYRKVDVFP-HXUWFJFHSA-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 (2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide (CID 88851087) is (2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCc1ccc(-c2cc3ccccc3[nH]2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is NEYIEJYRKVDVFP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-20(19(23)22-24,27(2,25)26)12-11-14-7-9-15(10-8-14)18-13-16-5-3-4-6-17(16)21-18/h3-10,13,21,24H,11-12H2,1-2H3,(H,22,23)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[4-(1H-indol-2-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 (2R)-N-hydroxy-4-[4-(1H-indol-2-yl)phenyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88851087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).