N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide

C19H22N2OS — CID 20907262

IUPACN-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1c(-c2cccs2)cc2ccccc21
InChIInChI=1S/C19H22N2OS/c1-14(2)9-10-20-19(22)13-21-16-7-4-3-6-15(16)12-17(21)18-8-5-11-23-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,20,22)
InChIKeyWNLQEOYIQNESSG-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.53
Rot. Bonds6

About N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide

N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide (PubChem CID 20907262) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
PubChem CID20907262
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC NameN-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1c(-c2cccs2)cc2ccccc21
InChIInChI=1S/C19H22N2OS/c1-14(2)9-10-20-19(22)13-21-16-7-4-3-6-15(16)12-17(21)18-8-5-11-23-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,20,22)
InChIKeyWNLQEOYIQNESSG-UHFFFAOYSA-N
XLogP4.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907278
2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide
CID 53032532
N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 121272818
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 98429828
N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 121272710
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone
CID 53032510
N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide
CID 121272677
N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
CID 107299993
N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879449
N-(3-methylbutyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 18107709
N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20996470
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methylindol-1-yl)acetamide
CID 46522919

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide (CID 20907262) is N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide is CC(C)CCNC(=O)Cn1c(-c2cccs2)cc2ccccc21.
What is the InChIKey of N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The InChIKey is WNLQEOYIQNESSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-14(2)9-10-20-19(22)13-21-16-7-4-3-6-15(16)12-17(21)18-8-5-11-23-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide has a molecular weight of 326.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide is sourced from PubChem (CID 20907262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).