N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide

C13H11ClINO2S — CID 78948622

IUPACN-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc(I)c2)cc1Cl
InChIInChI=1S/C13H11ClINO2S/c1-2-18-11-4-3-9(6-10(11)14)16-13(17)8-5-12(15)19-7-8/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRRDFTUWFMUQAOW-UHFFFAOYSA-N
MW407.66 g/mol
LogP4.66
Rot. Bonds4

About N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide

N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide (PubChem CID 78948622) has the molecular formula C13H11ClINO2S and a molecular weight of 407.66 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
PubChem CID78948622
Molecular FormulaC13H11ClINO2S
Molecular Weight407.66 g/mol
Exact Mass406.92
IUPAC NameN-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc(I)c2)cc1Cl
InChIInChI=1S/C13H11ClINO2S/c1-2-18-11-4-3-9(6-10(11)14)16-13(17)8-5-12(15)19-7-8/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRRDFTUWFMUQAOW-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.66
LogP ≤ 54.66
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-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 79693780
N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78949254
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1164621
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide
CID 79693136
4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide
CID 107074269
N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 78948733
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide
CID 115540160
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide (CID 78948622) is N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide is CCOc1ccc(NC(=O)c2csc(I)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide?
The InChIKey is RRDFTUWFMUQAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO2S/c1-2-18-11-4-3-9(6-10(11)14)16-13(17)8-5-12(15)19-7-8/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide?
N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide has a molecular weight of 407.66 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).