5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide

C12H7F3INO2S — CID 78949352

IUPAC5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1csc(I)c1
InChIInChI=1S/C12H7F3INO2S/c13-12(14,15)19-9-3-1-8(2-4-9)17-11(18)7-5-10(16)20-6-7/h1-6H,(H,17,18)
InChIKeySCZDTYOSBWAEPU-UHFFFAOYSA-N
MW413.16 g/mol
LogP4.50
Rot. Bonds3

About 5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide

5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide (PubChem CID 78949352) has the molecular formula C12H7F3INO2S and a molecular weight of 413.16 g/mol. Its IUPAC name is 5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
PubChem CID78949352
Molecular FormulaC12H7F3INO2S
Molecular Weight413.16 g/mol
Exact Mass412.92
IUPAC Name5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1csc(I)c1
InChIInChI=1S/C12H7F3INO2S/c13-12(14,15)19-9-3-1-8(2-4-9)17-11(18)7-5-10(16)20-6-7/h1-6H,(H,17,18)
InChIKeySCZDTYOSBWAEPU-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.16
LogP ≤ 54.50
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-(trifluoromethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 78949795
N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78949254
5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide
CID 79693136
N-(4-carbamothioylphenyl)-5-iodothiophene-3-carboxamide
CID 79693852
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide (CID 78949352) is 5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide?
The InChIKey is SCZDTYOSBWAEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3INO2S/c13-12(14,15)19-9-3-1-8(2-4-9)17-11(18)7-5-10(16)20-6-7/h1-6H,(H,17,18).
What are the key properties of 5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide?
5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide has a molecular weight of 413.16 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 78949352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).