5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C12H13ClF3NO2S — CID 71796139

IUPAC5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C12H13ClF3NO2S/c13-10-2-1-9(20-10)11(18)17(7-12(14,15)16)8-3-5-19-6-4-8/h1-2,8H,3-7H2
InChIKeyAMLMIJNGFNGDOP-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.59
Rot. Bonds3

About 5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 71796139) has the molecular formula C12H13ClF3NO2S and a molecular weight of 327.76 g/mol. Its IUPAC name is 5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID71796139
Molecular FormulaC12H13ClF3NO2S
Molecular Weight327.76 g/mol
Exact Mass327.03
IUPAC Name5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C12H13ClF3NO2S/c13-10-2-1-9(20-10)11(18)17(7-12(14,15)16)8-3-5-19-6-4-8/h1-2,8H,3-7H2
InChIKeyAMLMIJNGFNGDOP-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-Chlorothiophene-2-carbonyl)morpholine
CID 2225446
5-Chloro-N-methyl-N-[(4-methyloxan-4-YL)methyl]thiophene-2-carboxamide
CID 110875721
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 110875873
(5-Chlorothiophen-2-yl)(4-methoxypiperidin-1-yl)methanone
CID 49720276
(5-Chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150860
N-[1-(5-Chlorothiophene-2-carbonyl)piperidin-4-YL]-N-(oxan-4-YL)cyclopropanecarboxamide
CID 91906232
5-Chloro-N-methyl-N-[(oxan-4-YL)methyl]thiophene-2-carboxamide
CID 91915002
1-(5-Chlorothiophene-2-carbonyl)-4-[(1-methylpiperidin-4-YL)oxy]piperidine
CID 91916432
(5-Chlorothiophen-2-yl)(3-(2,2,2-trifluoroethoxy)azetidin-1-yl)methanone
CID 121018905
(5-Chlorothiophen-2-yl)(3-(4-methoxypiperidin-1-yl)azetidin-1-yl)methanone
CID 122243189
3-[(5-Chloro-thiophene-2-carbonyl)-amino]-2,2-difluoro-propionic acid ethyl ester
CID 69510780
5-Chloro-N,N-diisopropylthiophen-2-carboxamid
CID 129889291

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 71796139) is 5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(c1ccc(Cl)s1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is AMLMIJNGFNGDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2S/c13-10-2-1-9(20-10)11(18)17(7-12(14,15)16)8-3-5-19-6-4-8/h1-2,8H,3-7H2.
What are the key properties of 5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 327.76 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 71796139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).