N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide

C21H23N3O2S — CID 119938232

IUPACN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H23N3O2S/c25-20(13-18-14-27-11-9-22-18)23-17-6-3-5-16(12-17)21(26)24-10-8-15-4-1-2-7-19(15)24/h1-7,12,18,22H,8-11,13-14H2,(H,23,25)
InChIKeyIFVJHLGGODQEER-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.92
Rot. Bonds4

About N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938232) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938232
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H23N3O2S/c25-20(13-18-14-27-11-9-22-18)23-17-6-3-5-16(12-17)21(26)24-10-8-15-4-1-2-7-19(15)24/h1-7,12,18,22H,8-11,13-14H2,(H,23,25)
InChIKeyIFVJHLGGODQEER-UHFFFAOYSA-N
XLogP2.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(2,3-dihydroindole-1-carbonyl)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-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide
CID 119942245
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938532
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941383
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119761289
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935630
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide
CID 119938258
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
CID 60614369
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119938232) is N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is IFVJHLGGODQEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-20(13-18-14-27-11-9-22-18)23-17-6-3-5-16(12-17)21(26)24-10-8-15-4-1-2-7-19(15)24/h1-7,12,18,22H,8-11,13-14H2,(H,23,25).
What are the key properties of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 381.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).