5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C12H15F3INOS — CID 79693779

IUPAC5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C12H15F3INOS/c1-3-9(4-2)17(7-12(13,14)15)11(18)8-5-10(16)19-6-8/h5-6,9H,3-4,7H2,1-2H3
InChIKeyDDVGFUAIXVEPIE-UHFFFAOYSA-N
MW405.22 g/mol
LogP4.55
Rot. Bonds5

About 5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 79693779) has the molecular formula C12H15F3INOS and a molecular weight of 405.22 g/mol. Its IUPAC name is 5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID79693779
Molecular FormulaC12H15F3INOS
Molecular Weight405.22 g/mol
Exact Mass404.99
IUPAC Name5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C12H15F3INOS/c1-3-9(4-2)17(7-12(13,14)15)11(18)8-5-10(16)19-6-8/h5-6,9H,3-4,7H2,1-2H3
InChIKeyDDVGFUAIXVEPIE-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.22
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79693520
N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide
CID 79690111
5-iodo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948563
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948676
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 55116254
4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62682783
2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid
CID 79685739
2,5-dibromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 114371576
6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 63978005
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79601816
N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 79693867

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 79693779) is 5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is DDVGFUAIXVEPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3INOS/c1-3-9(4-2)17(7-12(13,14)15)11(18)8-5-10(16)19-6-8/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 405.22 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79693779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).