2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

C24H30N2O3S — CID 55376825

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)CSc2ccc3c(c2)CCC3)N2CCOCC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-28-21-8-5-19(6-9-21)23(26-11-13-29-14-12-26)16-25-24(27)17-30-22-10-7-18-3-2-4-20(18)15-22/h5-10,15,23H,2-4,11-14,16-17H2,1H3,(H,25,27)
InChIKeyNDZPUBPJNVKVMN-UHFFFAOYSA-N
MW426.58 g/mol
LogP3.47
Rot. Bonds8

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 55376825) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID55376825
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)CSc2ccc3c(c2)CCC3)N2CCOCC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-28-21-8-5-19(6-9-21)23(26-11-13-29-14-12-26)16-25-24(27)17-30-22-10-7-18-3-2-4-20(18)15-22/h5-10,15,23H,2-4,11-14,16-17H2,1H3,(H,25,27)
InChIKeyNDZPUBPJNVKVMN-UHFFFAOYSA-N
XLogP3.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide 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-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
2-(2,5-dimethylphenyl)sulfanyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 30318962
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314
2-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 18161625
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112793405
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (CID 55376825) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is COc1ccc(C(CNC(=O)CSc2ccc3c(c2)CCC3)N2CCOCC2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is NDZPUBPJNVKVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-28-21-8-5-19(6-9-21)23(26-11-13-29-14-12-26)16-25-24(27)17-30-22-10-7-18-3-2-4-20(18)15-22/h5-10,15,23H,2-4,11-14,16-17H2,1H3,(H,25,27).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 426.58 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 55376825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).