N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide

C14H18F2N2OS — CID 162616911

IUPACN-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide
SMILESC=Cc1c(C(=O)NC2CCC(F)(F)CC2)csc1NC
InChIInChI=1S/C14H18F2N2OS/c1-3-10-11(8-20-13(10)17-2)12(19)18-9-4-6-14(15,16)7-5-9/h3,8-9,17H,1,4-7H2,2H3,(H,18,19)
InChIKeyCIEFDBXFNCETOE-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.74
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide

N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide (PubChem CID 162616911) has the molecular formula C14H18F2N2OS and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide
PubChem CID162616911
Molecular FormulaC14H18F2N2OS
Molecular Weight300.37 g/mol
Exact Mass300.11
IUPAC NameN-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide
SMILESC=Cc1c(C(=O)NC2CCC(F)(F)CC2)csc1NC
InChIInChI=1S/C14H18F2N2OS/c1-3-10-11(8-20-13(10)17-2)12(19)18-9-4-6-14(15,16)7-5-9/h3,8-9,17H,1,4-7H2,2H3,(H,18,19)
InChIKeyCIEFDBXFNCETOE-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide (CID 162616911) is N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide is C=Cc1c(C(=O)NC2CCC(F)(F)CC2)csc1NC.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide?
The InChIKey is CIEFDBXFNCETOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS/c1-3-10-11(8-20-13(10)17-2)12(19)18-9-4-6-14(15,16)7-5-9/h3,8-9,17H,1,4-7H2,2H3,(H,18,19).
What are the key properties of N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide?
N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide is sourced from PubChem (CID 162616911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).