N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide

C15H16INOS — CID 78948452

IUPACN-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide
SMILESCCN(CCc1ccccc1)C(=O)c1csc(I)c1
InChIInChI=1S/C15H16INOS/c1-2-17(9-8-12-6-4-3-5-7-12)15(18)13-10-14(16)19-11-13/h3-7,10-11H,2,8-9H2,1H3
InChIKeyBUQZDSIUWXDQLI-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.06
Rot. Bonds5

About N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide

N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide (PubChem CID 78948452) has the molecular formula C15H16INOS and a molecular weight of 385.27 g/mol. Its IUPAC name is N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide
PubChem CID78948452
Molecular FormulaC15H16INOS
Molecular Weight385.27 g/mol
Exact Mass385.00
IUPAC NameN-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide
SMILESCCN(CCc1ccccc1)C(=O)c1csc(I)c1
InChIInChI=1S/C15H16INOS/c1-2-17(9-8-12-6-4-3-5-7-12)15(18)13-10-14(16)19-11-13/h3-7,10-11H,2,8-9H2,1H3
InChIKeyBUQZDSIUWXDQLI-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-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

Related Compounds

N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide
CID 102993520
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
CID 104859489
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 61108530
N-(cyanomethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948475
N-ethyl-4-fluoro-3-methyl-N-(2-phenylethyl)benzamide
CID 63213317
N-ethyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 55587739
2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide
CID 60738878
N-[(2-aminophenyl)methyl]-5-iodo-N-propylthiophene-3-carboxamide
CID 79685730
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 79683911
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
4-(dimethylsulfamoyl)-N-ethyl-N-(2-phenylethyl)benzamide
CID 55588043
2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
CID 52573948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide?
The IUPAC name of N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide (CID 78948452) is N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide?
The canonical SMILES for N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide is CCN(CCc1ccccc1)C(=O)c1csc(I)c1.
What is the InChIKey of N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide?
The InChIKey is BUQZDSIUWXDQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INOS/c1-2-17(9-8-12-6-4-3-5-7-12)15(18)13-10-14(16)19-11-13/h3-7,10-11H,2,8-9H2,1H3.
What are the key properties of N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide?
N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide has a molecular weight of 385.27 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78948452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).