2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide

C21H19N3OS — CID 53383647

IUPAC2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)cc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H19N3OS/c22-20-17(12-19(26-20)14-6-2-1-3-7-14)21(25)23-11-10-15-13-24-18-9-5-4-8-16(15)18/h1-9,12-13,24H,10-11,22H2,(H,23,25)
InChIKeyVNDAWTXUFXTAOZ-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.45
Rot. Bonds5

About 2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide

2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide (PubChem CID 53383647) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide
PubChem CID53383647
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)cc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H19N3OS/c22-20-17(12-19(26-20)14-6-2-1-3-7-14)21(25)23-11-10-15-13-24-18-9-5-4-8-16(15)18/h1-9,12-13,24H,10-11,22H2,(H,23,25)
InChIKeyVNDAWTXUFXTAOZ-UHFFFAOYSA-N
XLogP4.45
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide (CID 53383647) is 2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide is Nc1sc(-c2ccccc2)cc1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide?
The InChIKey is VNDAWTXUFXTAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c22-20-17(12-19(26-20)14-6-2-1-3-7-14)21(25)23-11-10-15-13-24-18-9-5-4-8-16(15)18/h1-9,12-13,24H,10-11,22H2,(H,23,25).
What are the key properties of 2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide?
2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 53383647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).