N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline

C24H29N3OS — CID 145383569

IUPACN-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline
SMILESC/C=C\Nc1ccccc1.CN(CCNCc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C15H18N2OS.C9H11N/c1-17(15(18)14-8-5-11-19-14)10-9-16-12-13-6-3-2-4-7-13;1-2-8-10-9-6-4-3-5-7-9/h2-8,11,16H,9-10,12H2,1H3;2-8,10H,1H3/b;8-2-
InChIKeyGIYMUZVKJYDBTE-RRPWIGGUSA-N
MW407.58 g/mol
LogP5.24
Rot. Bonds8

About N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline

N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline (PubChem CID 145383569) has the molecular formula C24H29N3OS and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline.

Molecular Properties

Compound NameN-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline
PubChem CID145383569
Molecular FormulaC24H29N3OS
Molecular Weight407.58 g/mol
Exact Mass407.20
IUPAC NameN-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline
SMILESC/C=C\Nc1ccccc1.CN(CCNCc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C15H18N2OS.C9H11N/c1-17(15(18)14-8-5-11-19-14)10-9-16-12-13-6-3-2-4-7-13;1-2-8-10-9-6-4-3-5-7-9/h2-8,11,16H,9-10,12H2,1H3;2-8,10H,1H3/b;8-2-
InChIKeyGIYMUZVKJYDBTE-RRPWIGGUSA-N
XLogP5.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline?
The IUPAC name of N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline (CID 145383569) is N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline.
What is the SMILES notation for N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline?
The canonical SMILES for N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline is C/C=C\Nc1ccccc1.CN(CCNCc1ccccc1)C(=O)c1cccs1.
What is the InChIKey of N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline?
The InChIKey is GIYMUZVKJYDBTE-RRPWIGGUSA-N. The full InChI is InChI=1S/C15H18N2OS.C9H11N/c1-17(15(18)14-8-5-11-19-14)10-9-16-12-13-6-3-2-4-7-13;1-2-8-10-9-6-4-3-5-7-9/h2-8,11,16H,9-10,12H2,1H3;2-8,10H,1H3/b;8-2-.
What are the key properties of N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline?
N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline has a molecular weight of 407.58 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)ethyl]-N-methylthiophene-2-carboxamide;N-[(Z)-prop-1-enyl]aniline is sourced from PubChem (CID 145383569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).