N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C23H26F3N3O3S — CID 46241120

IUPACN-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3cccs3)CC2)C1
InChIInChI=1S/C23H26F3N3O3S/c24-23(25,26)16-4-1-3-15(11-16)21(31)27-12-20(30)28-17-13-29(14-17)18-6-8-22(32,9-7-18)19-5-2-10-33-19/h1-5,10-11,17-18,32H,6-9,12-14H2,(H,27,31)(H,28,30)
InChIKeyQRCXBRBVGCPSRI-UHFFFAOYSA-N
MW481.54 g/mol
LogP3.13
Rot. Bonds6

About N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 46241120) has the molecular formula C23H26F3N3O3S and a molecular weight of 481.54 g/mol. Its IUPAC name is N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID46241120
Molecular FormulaC23H26F3N3O3S
Molecular Weight481.54 g/mol
Exact Mass481.16
IUPAC NameN-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3cccs3)CC2)C1
InChIInChI=1S/C23H26F3N3O3S/c24-23(25,26)16-4-1-3-15(11-16)21(31)27-12-20(30)28-17-13-29(14-17)18-6-8-22(32,9-7-18)19-5-2-10-33-19/h1-5,10-11,17-18,32H,6-9,12-14H2,(H,27,31)(H,28,30)
InChIKeyQRCXBRBVGCPSRI-UHFFFAOYSA-N
XLogP3.13
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 46241120) is N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3cccs3)CC2)C1.
What is the InChIKey of N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QRCXBRBVGCPSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3S/c24-23(25,26)16-4-1-3-15(11-16)21(31)27-12-20(30)28-17-13-29(14-17)18-6-8-22(32,9-7-18)19-5-2-10-33-19/h1-5,10-11,17-18,32H,6-9,12-14H2,(H,27,31)(H,28,30).
What are the key properties of N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 481.54 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-hydroxy-4-thiophen-2-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46241120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).