5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide

C18H24F2N2OS — CID 118432734

IUPAC5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1csc(C2CC2NC2CCC2)c1
InChIInChI=1S/C18H24F2N2OS/c19-18(20)6-4-13(5-7-18)22-17(23)11-8-16(24-10-11)14-9-15(14)21-12-2-1-3-12/h8,10,12-15,21H,1-7,9H2,(H,22,23)
InChIKeyVOCCXUIMJRTFBV-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.05
Rot. Bonds5

About 5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide

5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide (PubChem CID 118432734) has the molecular formula C18H24F2N2OS and a molecular weight of 354.47 g/mol. Its IUPAC name is 5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
PubChem CID118432734
Molecular FormulaC18H24F2N2OS
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1csc(C2CC2NC2CCC2)c1
InChIInChI=1S/C18H24F2N2OS/c19-18(20)6-4-13(5-7-18)22-17(23)11-8-16(24-10-11)14-9-15(14)21-12-2-1-3-12/h8,10,12-15,21H,1-7,9H2,(H,22,23)
InChIKeyVOCCXUIMJRTFBV-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide?
The IUPAC name of 5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide (CID 118432734) is 5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide?
The canonical SMILES for 5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide is O=C(NC1CCC(F)(F)CC1)c1csc(C2CC2NC2CCC2)c1.
What is the InChIKey of 5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide?
The InChIKey is VOCCXUIMJRTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2OS/c19-18(20)6-4-13(5-7-18)22-17(23)11-8-16(24-10-11)14-9-15(14)21-12-2-1-3-12/h8,10,12-15,21H,1-7,9H2,(H,22,23).
What are the key properties of 5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide?
5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide is sourced from PubChem (CID 118432734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).