N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C14H16F3NO2S — CID 25023817

IUPACN-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(C(=O)C(F)(F)F)cs1
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-11(21-8-10)13(20)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,18,20)
InChIKeyBBSBLQQJLHVBBD-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.80
Rot. Bonds4

About N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 25023817) has the molecular formula C14H16F3NO2S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID25023817
Molecular FormulaC14H16F3NO2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC NameN-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(C(=O)C(F)(F)F)cs1
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-11(21-8-10)13(20)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,18,20)
InChIKeyBBSBLQQJLHVBBD-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3c
CID 25023797
Thiophene derivative, 3e
CID 25023798
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
2,2,2-trifluoro-1-[5-({[(1R)-1-phenylethyl]amino}methyl)thiophen-2-yl]ethan-1-one
CID 25023812
N-benzyl-N-methyl-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023816
Acetamide, N-(3-trifluoromethylbenzyl)-2-(2-thienyl)-
CID 566340
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 25023817) is N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is O=C(NCC1CCCCC1)c1cc(C(=O)C(F)(F)F)cs1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is BBSBLQQJLHVBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-11(21-8-10)13(20)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,18,20).
What are the key properties of N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 319.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 25023817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).