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

C30H36F4N4O3S — CID 166725118

IUPACN-(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
SMILESC=C(CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1)C1=NCC(C(=O)NCC2CCC2)(C(C)C)N1
InChIInChI=1S/C30H36F4N4O3S/c1-20(2)29(28(39)35-17-22-5-4-6-22)19-36-27(37-29)21(3)15-16-38(42(40,41)26-13-11-25(31)12-14-26)18-23-7-9-24(10-8-23)30(32,33)34/h7-14,20,22H,3-6,15-19H2,1-2H3,(H,35,39)(H,36,37)
InChIKeyZQFWANXTECPQKS-UHFFFAOYSA-N
MW608.70 g/mol
LogP5.29
Rot. Bonds12

About 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

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 (PubChem CID 166725118) has the molecular formula C30H36F4N4O3S and a molecular weight of 608.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID166725118
Molecular FormulaC30H36F4N4O3S
Molecular Weight608.70 g/mol
Exact Mass608.24
IUPAC NameN-(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
SMILESC=C(CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1)C1=NCC(C(=O)NCC2CCC2)(C(C)C)N1
InChIInChI=1S/C30H36F4N4O3S/c1-20(2)29(28(39)35-17-22-5-4-6-22)19-36-27(37-29)21(3)15-16-38(42(40,41)26-13-11-25(31)12-14-26)18-23-7-9-24(10-8-23)30(32,33)34/h7-14,20,22H,3-6,15-19H2,1-2H3,(H,35,39)(H,36,37)
InChIKeyZQFWANXTECPQKS-UHFFFAOYSA-N
XLogP5.29
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.70
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

(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
(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
(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
N-cyclohexyl-3-[[C-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-N-methylcarbonimidoyl]amino]propanamide
CID 166725151
N-(cyclobutylmethyl)-3-[[C-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbonimidoyl]amino]butanamide
CID 166725117
(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-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide
CID 146294149
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
(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
3-[ethyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61007490
N-cyclopentyl-2-[(4-fluorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 26055553
methyl 5-[[(4-fluorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]furan-2-carboxylate
CID 2695500

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1)C1=NCC(C(=O)NCC2CCC2)(C(C)C)N1.
What is the InChIKey of 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?
The InChIKey is ZQFWANXTECPQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F4N4O3S/c1-20(2)29(28(39)35-17-22-5-4-6-22)19-36-27(37-29)21(3)15-16-38(42(40,41)26-13-11-25(31)12-14-26)18-23-7-9-24(10-8-23)30(32,33)34/h7-14,20,22H,3-6,15-19H2,1-2H3,(H,35,39)(H,36,37).
What are the key properties of 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?
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 has a molecular weight of 608.70 g/mol, XLogP of 5.29, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166725118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).