2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide

C18H19FN2OS — CID 70765117

IUPAC2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C18H19FN2OS/c1-11(8-13-6-7-23-10-13)20-17(22)9-15-12(2)21-18-14(15)4-3-5-16(18)19/h3-7,10-11,21H,8-9H2,1-2H3,(H,20,22)
InChIKeyMOSXUXUNFSVWFV-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.97
Rot. Bonds5

About 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide

2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide (PubChem CID 70765117) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
PubChem CID70765117
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C18H19FN2OS/c1-11(8-13-6-7-23-10-13)20-17(22)9-15-12(2)21-18-14(15)4-3-5-16(18)19/h3-7,10-11,21H,8-9H2,1-2H3,(H,20,22)
InChIKeyMOSXUXUNFSVWFV-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 45185399
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91791060
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide
CID 77082890
5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide
CID 61473652
N-(1-naphthalen-1-ylethyl)-2-thiophen-3-ylacetamide
CID 51151768
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
CID 70709474
N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540035
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide (CID 70765117) is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide is Cc1[nH]c2c(F)cccc2c1CC(=O)NC(C)Cc1ccsc1.
What is the InChIKey of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
The InChIKey is MOSXUXUNFSVWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-11(8-13-6-7-23-10-13)20-17(22)9-15-12(2)21-18-14(15)4-3-5-16(18)19/h3-7,10-11,21H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide is sourced from PubChem (CID 70765117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).