N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide

C16H20N2OS — CID 104859488

IUPACN-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C16H20N2OS/c1-2-14-8-11-20-15(14)16(19)18(10-9-17)12-13-6-4-3-5-7-13/h3-8,11H,2,9-10,12,17H2,1H3
InChIKeyRKVATHXVPIWTJC-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.91
Rot. Bonds6

About N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide

N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide (PubChem CID 104859488) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
PubChem CID104859488
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C16H20N2OS/c1-2-14-8-11-20-15(14)16(19)18(10-9-17)12-13-6-4-3-5-7-13/h3-8,11H,2,9-10,12,17H2,1H3
InChIKeyRKVATHXVPIWTJC-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
CID 104859465
N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide
CID 107365765
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477971
N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide
CID 107365501
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
CID 104859489
1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one
CID 114962833
N-benzyl-N-(2-bromoethyl)-3-chlorothiophene-2-carboxamide
CID 80662656
N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide
CID 104859435
4-[[(3-ethylthiophene-2-carbonyl)-methylamino]methyl]benzoic acid
CID 61357225
ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate
CID 43910590
N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
CID 61014053

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide (CID 104859488) is N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)N(CCN)Cc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide?
The InChIKey is RKVATHXVPIWTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-14-8-11-20-15(14)16(19)18(10-9-17)12-13-6-4-3-5-7-13/h3-8,11H,2,9-10,12,17H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide?
N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 104859488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).