5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide

C14H14INO2S — CID 79693136

IUPAC5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2csc(I)c2)cc1
InChIInChI=1S/C14H14INO2S/c1-2-7-18-12-5-3-11(4-6-12)16-14(17)10-8-13(15)19-9-10/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyZCLCHTYYPPQKEJ-UHFFFAOYSA-N
MW387.24 g/mol
LogP4.39
Rot. Bonds5

About 5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide

5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide (PubChem CID 79693136) has the molecular formula C14H14INO2S and a molecular weight of 387.24 g/mol. Its IUPAC name is 5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide
PubChem CID79693136
Molecular FormulaC14H14INO2S
Molecular Weight387.24 g/mol
Exact Mass386.98
IUPAC Name5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2csc(I)c2)cc1
InChIInChI=1S/C14H14INO2S/c1-2-7-18-12-5-3-11(4-6-12)16-14(17)10-8-13(15)19-9-10/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyZCLCHTYYPPQKEJ-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 54.39
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-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78949254
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 78949352
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
2-iodo-N-(4-propoxyphenyl)benzamide
CID 4942969
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78948622
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 79693780
4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide
CID 103885194
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
CID 60793170

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide (CID 79693136) is 5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide is CCCOc1ccc(NC(=O)c2csc(I)c2)cc1.
What is the InChIKey of 5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide?
The InChIKey is ZCLCHTYYPPQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2S/c1-2-7-18-12-5-3-11(4-6-12)16-14(17)10-8-13(15)19-9-10/h3-6,8-9H,2,7H2,1H3,(H,16,17).
What are the key properties of 5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide?
5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 79693136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).