2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide

C19H21FN2O2S — CID 129373664

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
SMILESCN1CCc2cc([C@H](O)CNC(=O)CSc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H21FN2O2S/c1-22-9-8-13-10-14(2-7-17(13)22)18(23)11-21-19(24)12-25-16-5-3-15(20)4-6-16/h2-7,10,18,23H,8-9,11-12H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyFEISJPYZXJUEKE-GOSISDBHSA-N
MW360.45 g/mol
LogP2.76
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide (PubChem CID 129373664) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
PubChem CID129373664
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
SMILESCN1CCc2cc([C@H](O)CNC(=O)CSc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H21FN2O2S/c1-22-9-8-13-10-14(2-7-17(13)22)18(23)11-21-19(24)12-25-16-5-3-15(20)4-6-16/h2-7,10,18,23H,8-9,11-12H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyFEISJPYZXJUEKE-GOSISDBHSA-N
XLogP2.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 90582198
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 90582278
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 90582123
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
3-(2-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide
CID 129373702
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-phenylpropanamide
CID 90582153
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 90582324
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 90582281
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110888960

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide (CID 129373664) is 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide is CN1CCc2cc([C@H](O)CNC(=O)CSc3ccc(F)cc3)ccc21.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide?
The InChIKey is FEISJPYZXJUEKE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-22-9-8-13-10-14(2-7-17(13)22)18(23)11-21-19(24)12-25-16-5-3-15(20)4-6-16/h2-7,10,18,23H,8-9,11-12H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide has a molecular weight of 360.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide is sourced from PubChem (CID 129373664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).