N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide

C20H23N3OS — CID 119941383

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C20H23N3OS/c24-20(13-16-14-25-12-10-21-16)22-17-6-2-4-8-19(17)23-11-9-15-5-1-3-7-18(15)23/h1-8,16,21H,9-14H2,(H,22,24)
InChIKeyHRACGBOVKDPLQZ-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.41
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119941383) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119941383
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C20H23N3OS/c24-20(13-16-14-25-12-10-21-16)22-17-6-2-4-8-19(17)23-11-9-15-5-1-3-7-18(15)23/h1-8,16,21H,9-14H2,(H,22,24)
InChIKeyHRACGBOVKDPLQZ-UHFFFAOYSA-N
XLogP3.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941058
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938532
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938232
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935046
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941468

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119941383) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccccc1N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is HRACGBOVKDPLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c24-20(13-16-14-25-12-10-21-16)22-17-6-2-4-8-19(17)23-11-9-15-5-1-3-7-18(15)23/h1-8,16,21H,9-14H2,(H,22,24).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 353.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).