2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide

C15H21FN2OS — CID 71970689

IUPAC2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1c(F)cccc1NC1CC1
InChIInChI=1S/C15H21FN2OS/c1-15(2,3)20-9-13(19)18-14-11(16)5-4-6-12(14)17-10-7-8-10/h4-6,10,17H,7-9H2,1-3H3,(H,18,19)
InChIKeyDHCFCKBOBWYCTA-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.87
Rot. Bonds5

About 2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide

2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide (PubChem CID 71970689) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide
PubChem CID71970689
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1c(F)cccc1NC1CC1
InChIInChI=1S/C15H21FN2OS/c1-15(2,3)20-9-13(19)18-14-11(16)5-4-6-12(14)17-10-7-8-10/h4-6,10,17H,7-9H2,1-3H3,(H,18,19)
InChIKeyDHCFCKBOBWYCTA-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide (CID 71970689) is 2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide is CC(C)(C)SCC(=O)Nc1c(F)cccc1NC1CC1.
What is the InChIKey of 2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide?
The InChIKey is DHCFCKBOBWYCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-15(2,3)20-9-13(19)18-14-11(16)5-4-6-12(14)17-10-7-8-10/h4-6,10,17H,7-9H2,1-3H3,(H,18,19).
What are the key properties of 2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide?
2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide has a molecular weight of 296.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide is sourced from PubChem (CID 71970689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).