N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide

C16H16N2OS — CID 17453466

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2OS/c1-11-7-9-20-15(11)16(19)17-8-6-12-10-18-14-5-3-2-4-13(12)14/h2-5,7,9-10,18H,6,8H2,1H3,(H,17,19)
InChIKeyLKCDPAXZFZKOOC-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.51
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide (PubChem CID 17453466) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
PubChem CID17453466
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2OS/c1-11-7-9-20-15(11)16(19)17-8-6-12-10-18-14-5-3-2-4-13(12)14/h2-5,7,9-10,18H,6,8H2,1H3,(H,17,19)
InChIKeyLKCDPAXZFZKOOC-UHFFFAOYSA-N
XLogP3.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide (CID 17453466) is N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is LKCDPAXZFZKOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-7-9-20-15(11)16(19)17-8-6-12-10-18-14-5-3-2-4-13(12)14/h2-5,7,9-10,18H,6,8H2,1H3,(H,17,19).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 17453466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).