N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C23H21F3N4O3S — CID 55781928

IUPACN-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCSc1nccn1-c1cccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)c1
InChIInChI=1S/C23H21F3N4O3S/c1-34-22-27-9-10-30(22)16-5-2-4-14(12-16)20(31)29-18-8-7-15(13-17(18)23(24,25)26)28-21(32)19-6-3-11-33-19/h2,4-5,7-10,12-13,19H,3,6,11H2,1H3,(H,28,32)(H,29,31)
InChIKeyFSPPZAOBIGQFBZ-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.98
Rot. Bonds6

About N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 55781928) has the molecular formula C23H21F3N4O3S and a molecular weight of 490.51 g/mol. Its IUPAC name is N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID55781928
Molecular FormulaC23H21F3N4O3S
Molecular Weight490.51 g/mol
Exact Mass490.13
IUPAC NameN-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCSc1nccn1-c1cccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)c1
InChIInChI=1S/C23H21F3N4O3S/c1-34-22-27-9-10-30(22)16-5-2-4-14(12-16)20(31)29-18-8-7-15(13-17(18)23(24,25)26)28-21(32)19-6-3-11-33-19/h2,4-5,7-10,12-13,19H,3,6,11H2,1H3,(H,28,32)(H,29,31)
InChIKeyFSPPZAOBIGQFBZ-UHFFFAOYSA-N
XLogP4.98
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 55782053
N-[4-[[3-(cyanomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886992
6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87001389
N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55781927
3-(2-methylsulfanylimidazol-1-yl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 86961638
(2R)-N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 51958687
N-[4-[(4-chloro-3-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782239
N-[4-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886392
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774767
N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781948
N-[4-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782086

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 55781928) is N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is CSc1nccn1-c1cccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)c1.
What is the InChIKey of N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is FSPPZAOBIGQFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3S/c1-34-22-27-9-10-30(22)16-5-2-4-14(12-16)20(31)29-18-8-7-15(13-17(18)23(24,25)26)28-21(32)19-6-3-11-33-19/h2,4-5,7-10,12-13,19H,3,6,11H2,1H3,(H,28,32)(H,29,31).
What are the key properties of N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 490.51 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55781928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).