N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide

C27H27F3N4O5 — CID 67653518

IUPACN-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide
SMILESC[C@@H](C(=O)NC1CC(=O)OC1OCc1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)C(=O)c1cnc[nH]1
InChIInChI=1S/C27H27F3N4O5/c1-17(24(36)33-21-13-23(35)39-26(21)38-15-19-5-3-2-4-6-19)34(25(37)22-14-31-16-32-22)12-11-18-7-9-20(10-8-18)27(28,29)30/h2-10,14,16-17,21,26H,11-13,15H2,1H3,(H,31,32)(H,33,36)/t17-,21?,26?/m0/s1
InChIKeyDWTRHBNQBGSCOG-GFDLHLTESA-N
MW544.53 g/mol
LogP3.48
Rot. Bonds10

About N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide

N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide (PubChem CID 67653518) has the molecular formula C27H27F3N4O5 and a molecular weight of 544.53 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide
PubChem CID67653518
Molecular FormulaC27H27F3N4O5
Molecular Weight544.53 g/mol
Exact Mass544.19
IUPAC NameN-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide
SMILESC[C@@H](C(=O)NC1CC(=O)OC1OCc1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)C(=O)c1cnc[nH]1
InChIInChI=1S/C27H27F3N4O5/c1-17(24(36)33-21-13-23(35)39-26(21)38-15-19-5-3-2-4-6-19)34(25(37)22-14-31-16-32-22)12-11-18-7-9-20(10-8-18)27(28,29)30/h2-10,14,16-17,21,26H,11-13,15H2,1H3,(H,31,32)(H,33,36)/t17-,21?,26?/m0/s1
InChIKeyDWTRHBNQBGSCOG-GFDLHLTESA-N
XLogP3.48
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.53
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-methyl-N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-(3-phenylpropanoyl)butanamide
CID 22854685
N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide
CID 54524313
(2R)-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]-2-methyl-N-(5-oxo-2-phenylmethoxyoxolan-3-yl)pyrrolidin-1-ium-1-carboxamide
CID 57001317
N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide
CID 22104296
4-[[(3Z,5Z)-3-tert-butylhepta-1,3,5-trien-2-yl]amino]-N-[1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]butanamide
CID 142155271
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100519886
(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930736
2-hydroxy-N-(5-methyl-4-phenylmethoxycyclohexa-1,3-dien-1-yl)-4-[4-(trifluoromethyl)phenyl]butanamide
CID 143694494
(2S)-1-[(2S)-2-[[4-amino-3-(trifluoromethyl)benzoyl]amino]propanoyl]-N-[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]pyrrolidine-2-carboxamide
CID 59043883
N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 87497566
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132615250
tert-butyl (2S,4R)-2-[[(3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate
CID 58982554

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide (CID 67653518) is N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide is C[C@@H](C(=O)NC1CC(=O)OC1OCc1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)C(=O)c1cnc[nH]1.
What is the InChIKey of N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is DWTRHBNQBGSCOG-GFDLHLTESA-N. The full InChI is InChI=1S/C27H27F3N4O5/c1-17(24(36)33-21-13-23(35)39-26(21)38-15-19-5-3-2-4-6-19)34(25(37)22-14-31-16-32-22)12-11-18-7-9-20(10-8-18)27(28,29)30/h2-10,14,16-17,21,26H,11-13,15H2,1H3,(H,31,32)(H,33,36)/t17-,21?,26?/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide?
N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 544.53 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propan-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 67653518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).