5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one

C19H21NO3S2 — CID 70143749

IUPAC5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one
SMILESC[C@@H]1C[C@](O)(c2csc(Sc3ccc4c(c3)CC(=O)N4C)c2)CCO1
InChIInChI=1S/C19H21NO3S2/c1-12-10-19(22,5-6-23-12)14-9-18(24-11-14)25-15-3-4-16-13(7-15)8-17(21)20(16)2/h3-4,7,9,11-12,22H,5-6,8,10H2,1-2H3/t12-,19+/m1/s1
InChIKeyMQLADKMVHOOVET-BLVKFPJESA-N
MW375.52 g/mol
LogP3.80
Rot. Bonds3

About 5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one

5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one (PubChem CID 70143749) has the molecular formula C19H21NO3S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one
PubChem CID70143749
Molecular FormulaC19H21NO3S2
Molecular Weight375.52 g/mol
Exact Mass375.10
IUPAC Name5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one
SMILESC[C@@H]1C[C@](O)(c2csc(Sc3ccc4c(c3)CC(=O)N4C)c2)CCO1
InChIInChI=1S/C19H21NO3S2/c1-12-10-19(22,5-6-23-12)14-9-18(24-11-14)25-15-3-4-16-13(7-15)8-17(21)20(16)2/h3-4,7,9,11-12,22H,5-6,8,10H2,1-2H3/t12-,19+/m1/s1
InChIKeyMQLADKMVHOOVET-BLVKFPJESA-N
XLogP3.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one (CID 70143749) is 5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one is C[C@@H]1C[C@](O)(c2csc(Sc3ccc4c(c3)CC(=O)N4C)c2)CCO1.
What is the InChIKey of 5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one?
The InChIKey is MQLADKMVHOOVET-BLVKFPJESA-N. The full InChI is InChI=1S/C19H21NO3S2/c1-12-10-19(22,5-6-23-12)14-9-18(24-11-14)25-15-3-4-16-13(7-15)8-17(21)20(16)2/h3-4,7,9,11-12,22H,5-6,8,10H2,1-2H3/t12-,19+/m1/s1.
What are the key properties of 5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one?
5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one has a molecular weight of 375.52 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2R,4S)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one is sourced from PubChem (CID 70143749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).