(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

C29H34F4N4O3S — CID 166725220

IUPAC(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
SMILESC=C(CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1)C1=NC(C)[C@](C)(C(=O)NCC2CCC2)N1
InChIInChI=1S/C29H34F4N4O3S/c1-19(26-35-20(2)28(3,36-26)27(38)34-17-21-5-4-6-21)15-16-37(41(39,40)25-13-11-24(30)12-14-25)18-22-7-9-23(10-8-22)29(31,32)33/h7-14,20-21H,1,4-6,15-18H2,2-3H3,(H,34,38)(H,35,36)/t20?,28-/m1/s1
InChIKeyZOEFOHPAKDOMPI-VLEDXSGQSA-N
MW594.68 g/mol
LogP5.05
Rot. Bonds11

About (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

(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 (PubChem CID 166725220) has the molecular formula C29H34F4N4O3S and a molecular weight of 594.68 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166725220
Molecular FormulaC29H34F4N4O3S
Molecular Weight594.68 g/mol
Exact Mass594.23
IUPAC Name(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
SMILESC=C(CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1)C1=NC(C)[C@](C)(C(=O)NCC2CCC2)N1
InChIInChI=1S/C29H34F4N4O3S/c1-19(26-35-20(2)28(3,36-26)27(38)34-17-21-5-4-6-21)15-16-37(41(39,40)25-13-11-24(30)12-14-25)18-22-7-9-23(10-8-22)29(31,32)33/h7-14,20-21H,1,4-6,15-18H2,2-3H3,(H,34,38)(H,35,36)/t20?,28-/m1/s1
InChIKeyZOEFOHPAKDOMPI-VLEDXSGQSA-N
XLogP5.05
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.68
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1)C1=NC(C)[C@](C)(C(=O)NCC2CCC2)N1.
What is the InChIKey of (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?
The InChIKey is ZOEFOHPAKDOMPI-VLEDXSGQSA-N. The full InChI is InChI=1S/C29H34F4N4O3S/c1-19(26-35-20(2)28(3,36-26)27(38)34-17-21-5-4-6-21)15-16-37(41(39,40)25-13-11-24(30)12-14-25)18-22-7-9-23(10-8-22)29(31,32)33/h7-14,20-21H,1,4-6,15-18H2,2-3H3,(H,34,38)(H,35,36)/t20?,28-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 594.68 g/mol, XLogP of 5.05, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166725220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).