N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide

C24H23NOS2 — CID 123563159

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide
SMILESO=C(CC(Sc1ccccc1)Sc1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C24H23NOS2/c26-23(25-20-15-14-18-8-7-9-19(18)16-20)17-24(27-21-10-3-1-4-11-21)28-22-12-5-2-6-13-22/h1-6,10-16,24H,7-9,17H2,(H,25,26)
InChIKeySTWCACIJUFHXSU-UHFFFAOYSA-N
MW405.59 g/mol
LogP6.41
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide (PubChem CID 123563159) has the molecular formula C24H23NOS2 and a molecular weight of 405.59 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide
PubChem CID123563159
Molecular FormulaC24H23NOS2
Molecular Weight405.59 g/mol
Exact Mass405.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide
SMILESO=C(CC(Sc1ccccc1)Sc1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C24H23NOS2/c26-23(25-20-15-14-18-8-7-9-19(18)16-20)17-24(27-21-10-3-1-4-11-21)28-22-12-5-2-6-13-22/h1-6,10-16,24H,7-9,17H2,(H,25,26)
InChIKeySTWCACIJUFHXSU-UHFFFAOYSA-N
XLogP6.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)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

N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis[[3-(trifluoromethyl)phenyl]sulfanyl]propanamide
CID 123632016
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749895
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
2-(benzhydrylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7516034
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride
CID 120586674
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108614
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7761053
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-hydroxyphenoxy)acetamide
CID 78780058
N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide
CID 86996263
(2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid
CID 32502808

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide (CID 123563159) is N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide is O=C(CC(Sc1ccccc1)Sc1ccccc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide?
The InChIKey is STWCACIJUFHXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NOS2/c26-23(25-20-15-14-18-8-7-9-19(18)16-20)17-24(27-21-10-3-1-4-11-21)28-22-12-5-2-6-13-22/h1-6,10-16,24H,7-9,17H2,(H,25,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide has a molecular weight of 405.59 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide is sourced from PubChem (CID 123563159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).