N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide

C24H31F3N4O4S — CID 66815410

IUPACN,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide
SMILESCc1cc(C(=O)N(C)C)ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(C1(C(F)(F)F)CCC1)NC2=O
InChIInChI=1S/C24H31F3N4O4S/c1-16-15-18(19(32)30(2)3)6-5-17(16)7-14-36(34,35)31-12-10-23(11-13-31)21(33)28-20(29-23)22(8-4-9-22)24(25,26)27/h5-6,15H,4,7-14H2,1-3H3,(H,28,29,33)
InChIKeyOXCWZOXWFBQGMB-UHFFFAOYSA-N
MW528.60 g/mol
LogP2.66
Rot. Bonds6

About N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide

N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide (PubChem CID 66815410) has the molecular formula C24H31F3N4O4S and a molecular weight of 528.60 g/mol. Its IUPAC name is N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide.

Molecular Properties

Compound NameN,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide
PubChem CID66815410
Molecular FormulaC24H31F3N4O4S
Molecular Weight528.60 g/mol
Exact Mass528.20
IUPAC NameN,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide
SMILESCc1cc(C(=O)N(C)C)ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(C1(C(F)(F)F)CCC1)NC2=O
InChIInChI=1S/C24H31F3N4O4S/c1-16-15-18(19(32)30(2)3)6-5-17(16)7-14-36(34,35)31-12-10-23(11-13-31)21(33)28-20(29-23)22(8-4-9-22)24(25,26)27/h5-6,15H,4,7-14H2,1-3H3,(H,28,29,33)
InChIKeyOXCWZOXWFBQGMB-UHFFFAOYSA-N
XLogP2.66
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.60
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide?
The IUPAC name of N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide (CID 66815410) is N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide.
What is the SMILES notation for N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide?
The canonical SMILES for N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide is Cc1cc(C(=O)N(C)C)ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(C1(C(F)(F)F)CCC1)NC2=O.
What is the InChIKey of N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide?
The InChIKey is OXCWZOXWFBQGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O4S/c1-16-15-18(19(32)30(2)3)6-5-17(16)7-14-36(34,35)31-12-10-23(11-13-31)21(33)28-20(29-23)22(8-4-9-22)24(25,26)27/h5-6,15H,4,7-14H2,1-3H3,(H,28,29,33).
What are the key properties of N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide?
N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide has a molecular weight of 528.60 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-[2-[[4-oxo-2-[1-(trifluoromethyl)cyclobutyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]benzamide is sourced from PubChem (CID 66815410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).