4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide

C18H17ClF3NOS — CID 15376686

IUPAC4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccc(Cl)cc2)c(C(F)(F)F)s1
InChIInChI=1S/C18H17ClF3NOS/c19-12-8-6-11(7-9-12)14-10-15(25-16(14)18(20,21)22)17(24)23-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,23,24)
InChIKeyJZQKMXHIICSFDZ-UHFFFAOYSA-N
MW387.85 g/mol
LogP6.15
Rot. Bonds3

About 4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide

4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 15376686) has the molecular formula C18H17ClF3NOS and a molecular weight of 387.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID15376686
Molecular FormulaC18H17ClF3NOS
Molecular Weight387.85 g/mol
Exact Mass387.07
IUPAC Name4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccc(Cl)cc2)c(C(F)(F)F)s1
InChIInChI=1S/C18H17ClF3NOS/c19-12-8-6-11(7-9-12)14-10-15(25-16(14)18(20,21)22)17(24)23-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,23,24)
InChIKeyJZQKMXHIICSFDZ-UHFFFAOYSA-N
XLogP6.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.85
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide (CID 15376686) is 4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide is O=C(NC1CCCCC1)c1cc(-c2ccc(Cl)cc2)c(C(F)(F)F)s1.
What is the InChIKey of 4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is JZQKMXHIICSFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NOS/c19-12-8-6-11(7-9-12)14-10-15(25-16(14)18(20,21)22)17(24)23-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide?
4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 387.85 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 15376686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).