2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide

C18H20N2O2S — CID 67134600

IUPAC2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide
SMILESCNC(=O)C(Cc1ccsc1)Cc1c[nH]c2cccc(OC)c12
InChIInChI=1S/C18H20N2O2S/c1-19-18(21)13(8-12-6-7-23-11-12)9-14-10-20-15-4-3-5-16(22-2)17(14)15/h3-7,10-11,13,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyDGESFYSAUUEAAI-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.39
Rot. Bonds6

About 2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide

2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide (PubChem CID 67134600) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide
PubChem CID67134600
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide
SMILESCNC(=O)C(Cc1ccsc1)Cc1c[nH]c2cccc(OC)c12
InChIInChI=1S/C18H20N2O2S/c1-19-18(21)13(8-12-6-7-23-11-12)9-14-10-20-15-4-3-5-16(22-2)17(14)15/h3-7,10-11,13,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyDGESFYSAUUEAAI-UHFFFAOYSA-N
XLogP3.39
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate
CID 102380446
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005911
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
1-(2-fluoro-3-methoxyphenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105180556
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 120524391
1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol
CID 105125769
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 120537179
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110009904

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide?
The IUPAC name of 2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide (CID 67134600) is 2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for 2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for 2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide is CNC(=O)C(Cc1ccsc1)Cc1c[nH]c2cccc(OC)c12.
What is the InChIKey of 2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide?
The InChIKey is DGESFYSAUUEAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-19-18(21)13(8-12-6-7-23-11-12)9-14-10-20-15-4-3-5-16(22-2)17(14)15/h3-7,10-11,13,20H,8-9H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide?
2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide has a molecular weight of 328.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 67134600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).