N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide

C17H21N3O4S — CID 12971636

IUPACN-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
SMILESCC(=S)NC[C@H]1CN(c2ccc3c(c2)C[C@@H](C)N3C(=O)CO)C(=O)O1
InChIInChI=1S/C17H21N3O4S/c1-10-5-12-6-13(3-4-15(12)20(10)16(22)9-21)19-8-14(24-17(19)23)7-18-11(2)25/h3-4,6,10,14,21H,5,7-9H2,1-2H3,(H,18,25)/t10-,14+/m1/s1
InChIKeyGXAFZFIWZVOXML-YGRLFVJLSA-N
MW363.44 g/mol
LogP1.22
Rot. Bonds4

About N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide

N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide (PubChem CID 12971636) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide.

Molecular Properties

Compound NameN-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
PubChem CID12971636
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
SMILESCC(=S)NC[C@H]1CN(c2ccc3c(c2)C[C@@H](C)N3C(=O)CO)C(=O)O1
InChIInChI=1S/C17H21N3O4S/c1-10-5-12-6-13(3-4-15(12)20(10)16(22)9-21)19-8-14(24-17(19)23)7-18-11(2)25/h3-4,6,10,14,21H,5,7-9H2,1-2H3,(H,18,25)/t10-,14+/m1/s1
InChIKeyGXAFZFIWZVOXML-YGRLFVJLSA-N
XLogP1.22
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide 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 N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The IUPAC name of N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide (CID 12971636) is N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide.
What is the SMILES notation for N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The canonical SMILES for N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide is CC(=S)NC[C@H]1CN(c2ccc3c(c2)C[C@@H](C)N3C(=O)CO)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The InChIKey is GXAFZFIWZVOXML-YGRLFVJLSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-10-5-12-6-13(3-4-15(12)20(10)16(22)9-21)19-8-14(24-17(19)23)7-18-11(2)25/h3-4,6,10,14,21H,5,7-9H2,1-2H3,(H,18,25)/t10-,14+/m1/s1.
What are the key properties of N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide has a molecular weight of 363.44 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[(2R)-1-(2-hydroxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide is sourced from PubChem (CID 12971636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).