3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide

C19H20N2OS — CID 89150467

IUPAC3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide
SMILESCOc1ccc(CNC(=S)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N2OS/c1-22-16-9-6-14(7-10-16)12-21-19(23)11-8-15-13-20-18-5-3-2-4-17(15)18/h2-7,9-10,13,20H,8,11-12H2,1H3,(H,21,23)
InChIKeyLDDSYIJHZVXADK-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.23
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide

3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide (PubChem CID 89150467) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide
PubChem CID89150467
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide
SMILESCOc1ccc(CNC(=S)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N2OS/c1-22-16-9-6-14(7-10-16)12-21-19(23)11-8-15-13-20-18-5-3-2-4-17(15)18/h2-7,9-10,13,20H,8,11-12H2,1H3,(H,21,23)
InChIKeyLDDSYIJHZVXADK-UHFFFAOYSA-N
XLogP4.23
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide 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-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
CID 53306565
N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 26378402
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 91638530
1-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 135784743
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 43003309
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110996329

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide (CID 89150467) is 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide is COc1ccc(CNC(=S)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide?
The InChIKey is LDDSYIJHZVXADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-22-16-9-6-14(7-10-16)12-21-19(23)11-8-15-13-20-18-5-3-2-4-17(15)18/h2-7,9-10,13,20H,8,11-12H2,1H3,(H,21,23).
What are the key properties of 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide?
3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide has a molecular weight of 324.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide is sourced from PubChem (CID 89150467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).