N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide

C23H27F3N4O2S — CID 58751589

IUPACN-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCC(c3nccs3)CC2)C1
InChIInChI=1S/C23H27F3N4O2S/c24-23(25,26)17-3-1-2-16(12-17)21(32)28-13-20(31)29-18-8-10-30(14-18)19-6-4-15(5-7-19)22-27-9-11-33-22/h1-3,9,11-12,15,18-19H,4-8,10,13-14H2,(H,28,32)(H,29,31)/t15?,18-,19?/m1/s1
InChIKeyWUXQXQGBAZKCNT-ZCDLSOSASA-N
MW480.56 g/mol
LogP3.81
Rot. Bonds6

About N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide

N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 58751589) has the molecular formula C23H27F3N4O2S and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID58751589
Molecular FormulaC23H27F3N4O2S
Molecular Weight480.56 g/mol
Exact Mass480.18
IUPAC NameN-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCC(c3nccs3)CC2)C1
InChIInChI=1S/C23H27F3N4O2S/c24-23(25,26)17-3-1-2-16(12-17)21(32)28-13-20(31)29-18-8-10-30(14-18)19-6-4-15(5-7-19)22-27-9-11-33-22/h1-3,9,11-12,15,18-19H,4-8,10,13-14H2,(H,28,32)(H,29,31)/t15?,18-,19?/m1/s1
InChIKeyWUXQXQGBAZKCNT-ZCDLSOSASA-N
XLogP3.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide (CID 58751589) is N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide is O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCC(c3nccs3)CC2)C1.
What is the InChIKey of N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is WUXQXQGBAZKCNT-ZCDLSOSASA-N. The full InChI is InChI=1S/C23H27F3N4O2S/c24-23(25,26)17-3-1-2-16(12-17)21(32)28-13-20(31)29-18-8-10-30(14-18)19-6-4-15(5-7-19)22-27-9-11-33-22/h1-3,9,11-12,15,18-19H,4-8,10,13-14H2,(H,28,32)(H,29,31)/t15?,18-,19?/m1/s1.
What are the key properties of N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 480.56 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58751589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).