N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide

C18H19FN2OS — CID 113084455

IUPACN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
SMILESCC(C)(CNC(=O)Cc1cccs1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H19FN2OS/c1-18(2,11-21-17(22)9-13-4-3-7-23-13)15-10-20-16-8-12(19)5-6-14(15)16/h3-8,10,20H,9,11H2,1-2H3,(H,21,22)
InChIKeyFJPWGEHVBAYASC-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide

N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide (PubChem CID 113084455) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
PubChem CID113084455
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
SMILESCC(C)(CNC(=O)Cc1cccs1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H19FN2OS/c1-18(2,11-21-17(22)9-13-4-3-7-23-13)15-10-20-16-8-12(19)5-6-14(15)16/h3-8,10,20H,9,11H2,1-2H3,(H,21,22)
InChIKeyFJPWGEHVBAYASC-UHFFFAOYSA-N
XLogP4.01
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084290
N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
CID 113084215
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
CID 113084487
3-(6-fluoro-1H-indol-3-yl)-3-methylbutanoic acid
CID 84628087
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
CID 113084491
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide
CID 113084172
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 47317277
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole
CID 113084495
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084493
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436084

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide (CID 113084455) is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide is CC(C)(CNC(=O)Cc1cccs1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The InChIKey is FJPWGEHVBAYASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-18(2,11-21-17(22)9-13-4-3-7-23-13)15-10-20-16-8-12(19)5-6-14(15)16/h3-8,10,20H,9,11H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide has a molecular weight of 330.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113084455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).