4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide

C18H20N2OS — CID 2542070

IUPAC4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCN(Cc1cccs1)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2OS/c1-20(13-15-7-5-11-22-15)18(21)10-4-6-14-12-19-17-9-3-2-8-16(14)17/h2-3,5,7-9,11-12,19H,4,6,10,13H2,1H3
InChIKeyMDBSSVHKULYJAD-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.21
Rot. Bonds6

About 4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide

4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 2542070) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID2542070
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCN(Cc1cccs1)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2OS/c1-20(13-15-7-5-11-22-15)18(21)10-4-6-14-12-19-17-9-3-2-8-16(14)17/h2-3,5,7-9,11-12,19H,4,6,10,13H2,1H3
InChIKeyMDBSSVHKULYJAD-UHFFFAOYSA-N
XLogP4.21
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide (CID 2542070) is 4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide is CN(Cc1cccs1)C(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is MDBSSVHKULYJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-20(13-15-7-5-11-22-15)18(21)10-4-6-14-12-19-17-9-3-2-8-16(14)17/h2-3,5,7-9,11-12,19H,4,6,10,13H2,1H3.
What are the key properties of 4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide?
4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 312.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 2542070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).