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

C25H34N4O3S — CID 58638728

IUPACN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)CCC(=O)N(C)CCc2ccc(C3=NCCN3)cc2)cc1
InChIInChI=1S/C25H34N4O3S/c1-19(2)21-9-11-23(12-10-21)33(31,32)29(4)18-14-24(30)28(3)17-13-20-5-7-22(8-6-20)25-26-15-16-27-25/h5-12,19H,13-18H2,1-4H3,(H,26,27)
InChIKeyYXWGAVHPEVAZHI-UHFFFAOYSA-N
MW470.64 g/mol
LogP2.87
Rot. Bonds10

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

N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propanamide (PubChem CID 58638728) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propanamide
PubChem CID58638728
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)CCC(=O)N(C)CCc2ccc(C3=NCCN3)cc2)cc1
InChIInChI=1S/C25H34N4O3S/c1-19(2)21-9-11-23(12-10-21)33(31,32)29(4)18-14-24(30)28(3)17-13-20-5-7-22(8-6-20)25-26-15-16-27-25/h5-12,19H,13-18H2,1-4H3,(H,26,27)
InChIKeyYXWGAVHPEVAZHI-UHFFFAOYSA-N
XLogP2.87
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-propan-2-ylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propanamide (CID 58638728) is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)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-propan-2-ylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propanamide is CC(C)c1ccc(S(=O)(=O)N(C)CCC(=O)N(C)CCc2ccc(C3=NCCN3)cc2)cc1.
What is the InChIKey of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The InChIKey is YXWGAVHPEVAZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-19(2)21-9-11-23(12-10-21)33(31,32)29(4)18-14-24(30)28(3)17-13-20-5-7-22(8-6-20)25-26-15-16-27-25/h5-12,19H,13-18H2,1-4H3,(H,26,27).
What are the key properties of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propanamide?
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propanamide has a molecular weight of 470.64 g/mol, XLogP of 2.87, 10 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-propan-2-ylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 58638728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).