2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide

C28H25F3N4O4S — CID 42829865

IUPAC2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide
SMILESC=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C28H25F3N4O4S/c1-3-17-34(40(37,38)24-15-13-23(39-2)14-16-24)19-26(36)33-27-32-25(20-7-5-4-6-8-20)18-35(27)22-11-9-21(10-12-22)28(29,30)31/h3-16,18H,1,17,19H2,2H3,(H,32,33,36)
InChIKeyJEPXFCGXTAZGLI-UHFFFAOYSA-N
MW570.59 g/mol
LogP5.38
Rot. Bonds10

About 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide

2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide (PubChem CID 42829865) has the molecular formula C28H25F3N4O4S and a molecular weight of 570.59 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide
PubChem CID42829865
Molecular FormulaC28H25F3N4O4S
Molecular Weight570.59 g/mol
Exact Mass570.15
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide
SMILESC=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C28H25F3N4O4S/c1-3-17-34(40(37,38)24-15-13-23(39-2)14-16-24)19-26(36)33-27-32-25(20-7-5-4-6-8-20)18-35(27)22-11-9-21(10-12-22)28(29,30)31/h3-16,18H,1,17,19H2,2H3,(H,32,33,36)
InChIKeyJEPXFCGXTAZGLI-UHFFFAOYSA-N
XLogP5.38
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.59
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]-N-prop-2-enylbenzamide
CID 46146230
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42829866
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide
CID 42828561
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42828555
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826566
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145617
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145799
N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide
CID 46145515
N-(1,4-diphenylimidazol-2-yl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 42826895
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145792
N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide
CID 42825343
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 98442109

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide (CID 42829865) is 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide is C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide?
The InChIKey is JEPXFCGXTAZGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O4S/c1-3-17-34(40(37,38)24-15-13-23(39-2)14-16-24)19-26(36)33-27-32-25(20-7-5-4-6-8-20)18-35(27)22-11-9-21(10-12-22)28(29,30)31/h3-16,18H,1,17,19H2,2H3,(H,32,33,36).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide?
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide has a molecular weight of 570.59 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide is sourced from PubChem (CID 42829865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).