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

C11H13F3INOS — CID 78948459

IUPACN-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C11H13F3INOS/c1-2-3-4-16(7-11(12,13)14)10(17)8-5-9(15)18-6-8/h5-6H,2-4,7H2,1H3
InChIKeyKBJWIOPYSXQPKZ-UHFFFAOYSA-N
MW391.20 g/mol
LogP4.16
Rot. Bonds5

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

N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 78948459) has the molecular formula C11H13F3INOS and a molecular weight of 391.20 g/mol. Its IUPAC name is N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID78948459
Molecular FormulaC11H13F3INOS
Molecular Weight391.20 g/mol
Exact Mass390.97
IUPAC NameN-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C11H13F3INOS/c1-2-3-4-16(7-11(12,13)14)10(17)8-5-9(15)18-6-8/h5-6H,2-4,7H2,1H3
InChIKeyKBJWIOPYSXQPKZ-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.20
LogP ≤ 54.16
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

CID 49716986
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CID 72118345
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CID 12926531
CID 12926531
CID 13305450
CID 13305450
CID 23273494
CID 23273494
CID 71805938
CID 71805938
CID 11389776
CID 11389776
CID 12161492
CID 12161492
CID 45863283
CID 45863283
CID 49716976
CID 49716976
CID 49716985
CID 49716985
CID 53524301
CID 53524301

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 78948459) is N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1csc(I)c1.
What is the InChIKey of N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is KBJWIOPYSXQPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3INOS/c1-2-3-4-16(7-11(12,13)14)10(17)8-5-9(15)18-6-8/h5-6H,2-4,7H2,1H3.
What are the key properties of N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 391.20 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78948459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).