N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

C19H22FN3OS — CID 46588973

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C19H22FN3OS/c1-12-14(15-9-13(20)6-7-16(15)22-12)10-19(24)21-11-17(23(2)3)18-5-4-8-25-18/h4-9,17,22H,10-11H2,1-3H3,(H,21,24)
InChIKeyBKMIENPXWNNANN-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 46588973) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID46588973
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C19H22FN3OS/c1-12-14(15-9-13(20)6-7-16(15)22-12)10-19(24)21-11-17(23(2)3)18-5-4-8-25-18/h4-9,17,22H,10-11H2,1-3H3,(H,21,24)
InChIKeyBKMIENPXWNNANN-UHFFFAOYSA-N
XLogP3.64
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 4827380
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889006
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31908743
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide
CID 77082890
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32607717
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380737
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31856595
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 46588973) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is BKMIENPXWNNANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-12-14(15-9-13(20)6-7-16(15)22-12)10-19(24)21-11-17(23(2)3)18-5-4-8-25-18/h4-9,17,22H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 46588973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).