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

C13H12INO2S — CID 78949254

IUPACN-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc(I)c2)cc1
InChIInChI=1S/C13H12INO2S/c1-2-17-11-5-3-10(4-6-11)15-13(16)9-7-12(14)18-8-9/h3-8H,2H2,1H3,(H,15,16)
InChIKeyDUPGJFSPAPILQX-UHFFFAOYSA-N
MW373.22 g/mol
LogP4.00
Rot. Bonds4

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

N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide (PubChem CID 78949254) has the molecular formula C13H12INO2S and a molecular weight of 373.22 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
PubChem CID78949254
Molecular FormulaC13H12INO2S
Molecular Weight373.22 g/mol
Exact Mass372.96
IUPAC NameN-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc(I)c2)cc1
InChIInChI=1S/C13H12INO2S/c1-2-17-11-5-3-10(4-6-11)15-13(16)9-7-12(14)18-8-9/h3-8H,2H2,1H3,(H,15,16)
InChIKeyDUPGJFSPAPILQX-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 54.00
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

5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide
CID 79693136
N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78948622
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 79693780
5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 78949352
ethyl 3-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78949117
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide (CID 78949254) is N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide is CCOc1ccc(NC(=O)c2csc(I)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide?
The InChIKey is DUPGJFSPAPILQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO2S/c1-2-17-11-5-3-10(4-6-11)15-13(16)9-7-12(14)18-8-9/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide?
N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide has a molecular weight of 373.22 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78949254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).