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

C10H9F3INOS — CID 78948676

IUPACN-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1csc(I)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H9F3INOS/c11-10(12,13)5-15(7-1-2-7)9(16)6-3-8(14)17-4-6/h3-4,7H,1-2,5H2
InChIKeyODYYHVLVWNEGKF-UHFFFAOYSA-N
MW375.15 g/mol
LogP3.52
Rot. Bonds3

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

N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 78948676) has the molecular formula C10H9F3INOS and a molecular weight of 375.15 g/mol. Its IUPAC name is N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID78948676
Molecular FormulaC10H9F3INOS
Molecular Weight375.15 g/mol
Exact Mass374.94
IUPAC NameN-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1csc(I)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H9F3INOS/c11-10(12,13)5-15(7-1-2-7)9(16)6-3-8(14)17-4-6/h3-4,7H,1-2,5H2
InChIKeyODYYHVLVWNEGKF-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.15
LogP ≤ 53.52
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

N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948757
N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948393
5-iodo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948563
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693779
N-[(2S)-2-cyanopropyl]-N-cyclopropyl-5-iodothiophene-3-carboxamide
CID 97087107
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide
CID 79683756
N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 107026729
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948953
N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55010203
5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 54984054
N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79601816

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 78948676) is N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is O=C(c1csc(I)c1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is ODYYHVLVWNEGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INOS/c11-10(12,13)5-15(7-1-2-7)9(16)6-3-8(14)17-4-6/h3-4,7H,1-2,5H2.
What are the key properties of N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 375.15 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78948676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).