2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide

C22H26N2O2S — CID 42918559

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O2S/c1-16(27-21-10-5-17-3-2-4-18(17)15-21)22(25)23-19-6-8-20(9-7-19)24-11-13-26-14-12-24/h5-10,15-16H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyMMMUSQHBPYFMOU-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.13
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 42918559) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID42918559
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O2S/c1-16(27-21-10-5-17-3-2-4-18(17)15-21)22(25)23-19-6-8-20(9-7-19)24-11-13-26-14-12-24/h5-10,15-16H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyMMMUSQHBPYFMOU-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide 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

(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
CID 8800471
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7870535
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
N-(4-morpholin-4-ylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 17442128
(2S)-N-(4-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 7990405
(2R)-N-(4-morpholin-4-ylphenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7257254
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 2127030
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 42974601
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 9431556
4,6-dimethyl-2-[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxamide
CID 17445744
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide (CID 42918559) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide is CC(Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is MMMUSQHBPYFMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-16(27-21-10-5-17-3-2-4-18(17)15-21)22(25)23-19-6-8-20(9-7-19)24-11-13-26-14-12-24/h5-10,15-16H,2-4,11-14H2,1H3,(H,23,25).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 382.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 42918559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).