N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide

C24H29F3N4O3S — CID 68886988

IUPACN-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide
SMILESCN(Cc1ccc(C2=NCCN2)cc1)C(=O)CCCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H29F3N4O3S/c1-30(17-18-10-12-19(13-11-18)23-28-14-15-29-23)22(32)9-5-6-16-31(2)35(33,34)21-8-4-3-7-20(21)24(25,26)27/h3-4,7-8,10-13H,5-6,9,14-17H2,1-2H3,(H,28,29)
InChIKeyZRSDVBSOYHEZBM-UHFFFAOYSA-N
MW510.58 g/mol
LogP3.50
Rot. Bonds10

About N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide

N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide (PubChem CID 68886988) has the molecular formula C24H29F3N4O3S and a molecular weight of 510.58 g/mol. Its IUPAC name is N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide.

Molecular Properties

Compound NameN-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide
PubChem CID68886988
Molecular FormulaC24H29F3N4O3S
Molecular Weight510.58 g/mol
Exact Mass510.19
IUPAC NameN-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide
SMILESCN(Cc1ccc(C2=NCCN2)cc1)C(=O)CCCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H29F3N4O3S/c1-30(17-18-10-12-19(13-11-18)23-28-14-15-29-23)22(32)9-5-6-16-31(2)35(33,34)21-8-4-3-7-20(21)24(25,26)27/h3-4,7-8,10-13H,5-6,9,14-17H2,1-2H3,(H,28,29)
InChIKeyZRSDVBSOYHEZBM-UHFFFAOYSA-N
XLogP3.50
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide
CID 57342845
2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
CID 57343016
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 9325508
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 135512265
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 135585128
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzenesulfonamide
CID 2962121
N-[2-[4-[[5-oxo-2-propyl-4,4-bis(trifluoromethyl)imidazol-1-yl]methyl]phenyl]phenyl]sulfonylhexanamide
CID 44210873
N-[2-[4-[(5,5-dimethyl-4-oxo-2-propylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide
CID 44210863
N~2~-[4-Ethyl-5-(4-methylphenyl)-1,1-dioxido-3-isothiazolyl]-N-(2-fluorobenzyl)glycinamide
CID 135706442
US12128028, Example 182
CID 146294144
US12128028, Example 251
CID 146294154
US12128028, Example 208
CID 146294212

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide?
The IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide (CID 68886988) is N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide.
What is the SMILES notation for N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide?
The canonical SMILES for N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide is CN(Cc1ccc(C2=NCCN2)cc1)C(=O)CCCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide?
The InChIKey is ZRSDVBSOYHEZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O3S/c1-30(17-18-10-12-19(13-11-18)23-28-14-15-29-23)22(32)9-5-6-16-31(2)35(33,34)21-8-4-3-7-20(21)24(25,26)27/h3-4,7-8,10-13H,5-6,9,14-17H2,1-2H3,(H,28,29).
What are the key properties of N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide?
N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide has a molecular weight of 510.58 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-5-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide is sourced from PubChem (CID 68886988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).