N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C23H27F3N4O3S — CID 58638716

IUPACN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H27F3N4O3S/c1-29(15-11-17-3-5-18(6-4-17)22-27-13-14-28-22)21(31)12-16-30(2)34(32,33)20-9-7-19(8-10-20)23(24,25)26/h3-10H,11-16H2,1-2H3,(H,27,28)
InChIKeyBDXDUVBUGICONU-UHFFFAOYSA-N
MW496.56 g/mol
LogP2.77
Rot. Bonds9

About N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 58638716) has the molecular formula C23H27F3N4O3S and a molecular weight of 496.56 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID58638716
Molecular FormulaC23H27F3N4O3S
Molecular Weight496.56 g/mol
Exact Mass496.18
IUPAC NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H27F3N4O3S/c1-29(15-11-17-3-5-18(6-4-17)22-27-13-14-28-22)21(31)12-16-30(2)34(32,33)20-9-7-19(8-10-20)23(24,25)26/h3-10H,11-16H2,1-2H3,(H,27,28)
InChIKeyBDXDUVBUGICONU-UHFFFAOYSA-N
XLogP2.77
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide 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 N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 58638716) is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide is CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is BDXDUVBUGICONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3S/c1-29(15-11-17-3-5-18(6-4-17)22-27-13-14-28-22)21(31)12-16-30(2)34(32,33)20-9-7-19(8-10-20)23(24,25)26/h3-10H,11-16H2,1-2H3,(H,27,28).
What are the key properties of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 496.56 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 58638716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).