N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

C16H18N2OS — CID 80566367

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CNc3ccccc32)s1
InChIInChI=1S/C16H18N2OS/c1-10-7-8-15(20-10)11(2)18-16(19)13-9-17-14-6-4-3-5-12(13)14/h3-8,11,13,17H,9H2,1-2H3,(H,18,19)
InChIKeyZKNJRZPTHGYWDS-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.44
Rot. Bonds3

About N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80566367) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80566367
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CNc3ccccc32)s1
InChIInChI=1S/C16H18N2OS/c1-10-7-8-15(20-10)11(2)18-16(19)13-9-17-14-6-4-3-5-12(13)14/h3-8,11,13,17H,9H2,1-2H3,(H,18,19)
InChIKeyZKNJRZPTHGYWDS-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80566367) is N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is Cc1ccc(C(C)NC(=O)C2CNc3ccccc32)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is ZKNJRZPTHGYWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-10-7-8-15(20-10)11(2)18-16(19)13-9-17-14-6-4-3-5-12(13)14/h3-8,11,13,17H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80566367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).