4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide

C18H20N2OS — CID 3606870

IUPAC4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCn1cc(CCCC(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C18H20N2OS/c1-20-13-14(16-8-2-3-9-17(16)20)6-4-10-18(21)19-12-15-7-5-11-22-15/h2-3,5,7-9,11,13H,4,6,10,12H2,1H3,(H,19,21)
InChIKeyKPRUKNWGDYQYFI-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.88
Rot. Bonds6

About 4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide

4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 3606870) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID3606870
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCn1cc(CCCC(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C18H20N2OS/c1-20-13-14(16-8-2-3-9-17(16)20)6-4-10-18(21)19-12-15-7-5-11-22-15/h2-3,5,7-9,11,13H,4,6,10,12H2,1H3,(H,19,21)
InChIKeyKPRUKNWGDYQYFI-UHFFFAOYSA-N
XLogP3.88
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
3-(1-benzothiophen-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327663
3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327668
3-(1-methyl-1H-indol-3-yl)-4-[1-methyl-5-(methylsulfanyl)-1H-indol-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327676
3-(1-methyl-1H-indol-3-yl)-4-[1-methyl-2-(methylsulfanyl)-1H-indol-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327699
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine
CID 10198700
Maleimide derivative, 5
CID 10477747
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 3606870) is 4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide is Cn1cc(CCCC(=O)NCc2cccs2)c2ccccc21.
What is the InChIKey of 4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is KPRUKNWGDYQYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-20-13-14(16-8-2-3-9-17(16)20)6-4-10-18(21)19-12-15-7-5-11-22-15/h2-3,5,7-9,11,13H,4,6,10,12H2,1H3,(H,19,21).
What are the key properties of 4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 312.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 3606870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).