(5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide

C26H30F4N4O3S — CID 166725330

IUPAC(5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide
SMILESC=C(CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1)C1=NC[C@@](C)(C(=O)NC(C)C)N1
InChIInChI=1S/C26H30F4N4O3S/c1-17(2)32-24(35)25(4)16-31-23(33-25)18(3)13-14-34(38(36,37)22-11-9-21(27)10-12-22)15-19-5-7-20(8-6-19)26(28,29)30/h5-12,17H,3,13-16H2,1-2,4H3,(H,31,33)(H,32,35)/t25-/m0/s1
InChIKeyICPIPZPUHBHAHO-VWLOTQADSA-N
MW554.61 g/mol
LogP4.27
Rot. Bonds10

About (5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide

(5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide (PubChem CID 166725330) has the molecular formula C26H30F4N4O3S and a molecular weight of 554.61 g/mol. Its IUPAC name is (5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide
PubChem CID166725330
Molecular FormulaC26H30F4N4O3S
Molecular Weight554.61 g/mol
Exact Mass554.20
IUPAC Name(5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide
SMILESC=C(CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1)C1=NC[C@@](C)(C(=O)NC(C)C)N1
InChIInChI=1S/C26H30F4N4O3S/c1-17(2)32-24(35)25(4)16-31-23(33-25)18(3)13-14-34(38(36,37)22-11-9-21(27)10-12-22)15-19-5-7-20(8-6-19)26(28,29)30/h5-12,17H,3,13-16H2,1-2,4H3,(H,31,33)(H,32,35)/t25-/m0/s1
InChIKeyICPIPZPUHBHAHO-VWLOTQADSA-N
XLogP4.27
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.61
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide with MolForge

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Related Compounds

N-(cyclobutylmethyl)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-propan-2-yl-1,4-dihydroimidazole-5-carboxamide
CID 166725118
(5R)-N-(cyclobutylmethyl)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-4,5-dimethyl-1,4-dihydroimidazole-5-carboxamide
CID 166725220
(5R)-N-(1-cyclobutylethyl)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-1,4-dihydroimidazole-5-carboxamide
CID 153388151
N-cyclohexyl-3-[[C-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-N-methylcarbonimidoyl]amino]propanamide
CID 166725151
(5R)-2-[(2S)-4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5-methyl-N-(2-methylbutyl)-1,4-dihydroimidazole-5-carboxamide
CID 153388070
(5R)-N-(cyclobutylmethyl)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-1,4-dihydroimidazole-5-carboxamide
CID 153388078
(5R)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-N-phenyl-1,4-dihydroimidazole-5-carboxamide
CID 166725440
N-[3-[(5R)-5-(3-cyclobutylbutanoyl)-5-methyl-1,4-dihydroimidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 157311609
4-fluoro-N-[3-[(5R)-5-methyl-5-[2-(1-methylcyclobutyl)acetyl]-1,4-dihydroimidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 158525789
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
N-[3-[(5R)-5-(3,3-dimethylpyrrolidine-1-carbonyl)-5-methyl-1,4-dihydroimidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 162173926
3-[ethyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61007490

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide?
The IUPAC name of (5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide (CID 166725330) is (5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide.
What is the SMILES notation for (5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide?
The canonical SMILES for (5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide is C=C(CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1)C1=NC[C@@](C)(C(=O)NC(C)C)N1.
What is the InChIKey of (5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide?
The InChIKey is ICPIPZPUHBHAHO-VWLOTQADSA-N. The full InChI is InChI=1S/C26H30F4N4O3S/c1-17(2)32-24(35)25(4)16-31-23(33-25)18(3)13-14-34(38(36,37)22-11-9-21(27)10-12-22)15-19-5-7-20(8-6-19)26(28,29)30/h5-12,17H,3,13-16H2,1-2,4H3,(H,31,33)(H,32,35)/t25-/m0/s1.
What are the key properties of (5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide?
(5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide has a molecular weight of 554.61 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-5-methyl-N-propan-2-yl-1,4-dihydroimidazole-5-carboxamide is sourced from PubChem (CID 166725330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).