N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide

C20H27F3N6O3S — CID 56678640

IUPACN-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
SMILESCS(=O)(=O)NC1CCC(N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C20H27F3N6O3S/c1-33(31,32)28-13-3-5-15(6-4-13)29-10-14(11-29)25-18(30)9-24-19-16-8-12(20(21,22)23)2-7-17(16)26-27-19/h2,7-8,13-15,28H,3-6,9-11H2,1H3,(H,25,30)(H2,24,26,27)
InChIKeyULYVIQRDWMYXRX-UHFFFAOYSA-N
MW488.54 g/mol
LogP1.65
Rot. Bonds7

About N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide

N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide (PubChem CID 56678640) has the molecular formula C20H27F3N6O3S and a molecular weight of 488.54 g/mol. Its IUPAC name is N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
PubChem CID56678640
Molecular FormulaC20H27F3N6O3S
Molecular Weight488.54 g/mol
Exact Mass488.18
IUPAC NameN-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
SMILESCS(=O)(=O)NC1CCC(N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C20H27F3N6O3S/c1-33(31,32)28-13-3-5-15(6-4-13)29-10-14(11-29)25-18(30)9-24-19-16-8-12(20(21,22)23)2-7-17(16)26-27-19/h2,7-8,13-15,28H,3-6,9-11H2,1H3,(H,25,30)(H2,24,26,27)
InChIKeyULYVIQRDWMYXRX-UHFFFAOYSA-N
XLogP1.65
TPSA119.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide (CID 56678640) is N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide is CS(=O)(=O)NC1CCC(N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The InChIKey is ULYVIQRDWMYXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N6O3S/c1-33(31,32)28-13-3-5-15(6-4-13)29-10-14(11-29)25-18(30)9-24-19-16-8-12(20(21,22)23)2-7-17(16)26-27-19/h2,7-8,13-15,28H,3-6,9-11H2,1H3,(H,25,30)(H2,24,26,27).
What are the key properties of N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide has a molecular weight of 488.54 g/mol, XLogP of 1.65, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(methanesulfonamido)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide is sourced from PubChem (CID 56678640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).