3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide

C18H18N2OS — CID 27364914

IUPAC3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N2OS/c1-22-15-9-7-14(8-10-15)20-18(21)11-6-13-12-19-17-5-3-2-4-16(13)17/h2-5,7-10,12,19H,6,11H2,1H3,(H,20,21)
InChIKeyJEEAHNFFVKZRKF-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.46
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide

3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 27364914) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
PubChem CID27364914
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N2OS/c1-22-15-9-7-14(8-10-15)20-18(21)11-6-13-12-19-17-5-3-2-4-16(13)17/h2-5,7-10,12,19H,6,11H2,1H3,(H,20,21)
InChIKeyJEEAHNFFVKZRKF-UHFFFAOYSA-N
XLogP4.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 42370206
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 20579503
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide
CID 87006855
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
CID 112984004
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 2522746

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide (CID 27364914) is 3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is JEEAHNFFVKZRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-22-15-9-7-14(8-10-15)20-18(21)11-6-13-12-19-17-5-3-2-4-16(13)17/h2-5,7-10,12,19H,6,11H2,1H3,(H,20,21).
What are the key properties of 3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide?
3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 310.42 g/mol, XLogP of 4.46, 5 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-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 27364914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).