N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide

C14H11ClF3NOS — CID 4219949

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H11ClF3NOS/c1-2-9-4-6-12(21-9)13(20)19-8-3-5-11(15)10(7-8)14(16,17)18/h3-7H,2H2,1H3,(H,19,20)
InChIKeyUOSPKBOYEHPOSL-UHFFFAOYSA-N
MW333.76 g/mol
LogP5.24
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide (PubChem CID 4219949) has the molecular formula C14H11ClF3NOS and a molecular weight of 333.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
PubChem CID4219949
Molecular FormulaC14H11ClF3NOS
Molecular Weight333.76 g/mol
Exact Mass333.02
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H11ClF3NOS/c1-2-9-4-6-12(21-9)13(20)19-8-3-5-11(15)10(7-8)14(16,17)18/h3-7H,2H2,1H3,(H,19,20)
InChIKeyUOSPKBOYEHPOSL-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.76
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid
CID 43358861
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8896388
N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 36676613
4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
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2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
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5-ethyl-N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64793569
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 2546301
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691808
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
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N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
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CID 2084506

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide (CID 4219949) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide?
The InChIKey is UOSPKBOYEHPOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NOS/c1-2-9-4-6-12(21-9)13(20)19-8-3-5-11(15)10(7-8)14(16,17)18/h3-7H,2H2,1H3,(H,19,20).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide has a molecular weight of 333.76 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 4219949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).