N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide

C14H15IN2OS — CID 104859489

IUPACN-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
SMILESNCCN(Cc1ccccc1)C(=O)c1csc(I)c1
InChIInChI=1S/C14H15IN2OS/c15-13-8-12(10-19-13)14(18)17(7-6-16)9-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9,16H2
InChIKeyAFBXKKNZCRYVMR-UHFFFAOYSA-N
MW386.26 g/mol
LogP2.95
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide

N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide (PubChem CID 104859489) has the molecular formula C14H15IN2OS and a molecular weight of 386.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
PubChem CID104859489
Molecular FormulaC14H15IN2OS
Molecular Weight386.26 g/mol
Exact Mass385.99
IUPAC NameN-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
SMILESNCCN(Cc1ccccc1)C(=O)c1csc(I)c1
InChIInChI=1S/C14H15IN2OS/c15-13-8-12(10-19-13)14(18)17(7-6-16)9-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9,16H2
InChIKeyAFBXKKNZCRYVMR-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-benzyl-3-iodobenzamide
CID 104859550
N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide
CID 78948452
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
CID 104859557
N-[(2-aminophenyl)methyl]-5-iodo-N-propylthiophene-3-carboxamide
CID 79685730
4-acetyl-N-(3-aminopropyl)-N-benzylthiophene-2-carboxamide
CID 120649352
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-benzyl-5-bromo-N-(2-chloroethyl)thiophene-3-carboxamide
CID 107965830
N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
CID 104859578
N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide
CID 107674367
N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
CID 104859488
N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide
CID 104859435
N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 81482711

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide (CID 104859489) is N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide is NCCN(Cc1ccccc1)C(=O)c1csc(I)c1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide?
The InChIKey is AFBXKKNZCRYVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2OS/c15-13-8-12(10-19-13)14(18)17(7-6-16)9-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9,16H2.
What are the key properties of N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide?
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide has a molecular weight of 386.26 g/mol, XLogP of 2.95, 5 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-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 104859489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).