N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

C23H32F2N4O2S — CID 91592777

IUPACN-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCCN(CC)Cc1cnc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)s1
InChIInChI=1S/C23H32F2N4O2S/c1-4-7-9-29(6-3)15-19-14-26-23(32-19)28-22(31)20(8-5-2)27-21(30)12-16-10-17(24)13-18(25)11-16/h10-11,13-14,20H,4-9,12,15H2,1-3H3,(H,27,30)(H,26,28,31)
InChIKeyWOOMNCKEYUWJFD-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.51
Rot. Bonds13

About N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 91592777) has the molecular formula C23H32F2N4O2S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID91592777
Molecular FormulaC23H32F2N4O2S
Molecular Weight466.60 g/mol
Exact Mass466.22
IUPAC NameN-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCCN(CC)Cc1cnc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)s1
InChIInChI=1S/C23H32F2N4O2S/c1-4-7-9-29(6-3)15-19-14-26-23(32-19)28-22(31)20(8-5-2)27-21(30)12-16-10-17(24)13-18(25)11-16/h10-11,13-14,20H,4-9,12,15H2,1-3H3,(H,27,30)(H,26,28,31)
InChIKeyWOOMNCKEYUWJFD-UHFFFAOYSA-N
XLogP4.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 91592777) is N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCCN(CC)Cc1cnc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)s1.
What is the InChIKey of N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is WOOMNCKEYUWJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2N4O2S/c1-4-7-9-29(6-3)15-19-14-26-23(32-19)28-22(31)20(8-5-2)27-21(30)12-16-10-17(24)13-18(25)11-16/h10-11,13-14,20H,4-9,12,15H2,1-3H3,(H,27,30)(H,26,28,31).
What are the key properties of N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 466.60 g/mol, XLogP of 4.51, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 91592777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).