N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide

C17H19N3OS — CID 20940652

IUPACN-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-n2ccc3ccccc32)s1
InChIInChI=1S/C17H19N3OS/c1-19(2)12-10-18-17(21)15-7-8-16(22-15)20-11-9-13-5-3-4-6-14(13)20/h3-9,11H,10,12H2,1-2H3,(H,18,21)
InChIKeyONBRKGUKNWYCAV-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide (PubChem CID 20940652) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide
PubChem CID20940652
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-n2ccc3ccccc32)s1
InChIInChI=1S/C17H19N3OS/c1-19(2)12-10-18-17(21)15-7-8-16(22-15)20-11-9-13-5-3-4-6-14(13)20/h3-9,11H,10,12H2,1-2H3,(H,18,21)
InChIKeyONBRKGUKNWYCAV-UHFFFAOYSA-N
XLogP2.98
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide (CID 20940652) is N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide is CN(C)CCNC(=O)c1ccc(-n2ccc3ccccc32)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide?
The InChIKey is ONBRKGUKNWYCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-19(2)12-10-18-17(21)15-7-8-16(22-15)20-11-9-13-5-3-4-6-14(13)20/h3-9,11H,10,12H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 20940652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).