N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide

C25H30N4O3S — CID 67625345

IUPACN-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
SMILESCCOC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(CN2c3ccncc3NC2C)cc1
InChIInChI=1S/C25H30N4O3S/c1-3-32-18-22(15-20-7-5-4-6-8-20)28-33(30,31)23-11-9-21(10-12-23)17-29-19(2)27-24-16-26-14-13-25(24)29/h4-14,16,19,22,27-28H,3,15,17-18H2,1-2H3/t19?,22-/m0/s1
InChIKeySGJBKJUPCPYVEG-BPARTEKVSA-N
MW466.61 g/mol
LogP3.79
Rot. Bonds10

About N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide

N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide (PubChem CID 67625345) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
PubChem CID67625345
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC NameN-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
SMILESCCOC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(CN2c3ccncc3NC2C)cc1
InChIInChI=1S/C25H30N4O3S/c1-3-32-18-22(15-20-7-5-4-6-8-20)28-33(30,31)23-11-9-21(10-12-23)17-29-19(2)27-24-16-26-14-13-25(24)29/h4-14,16,19,22,27-28H,3,15,17-18H2,1-2H3/t19?,22-/m0/s1
InChIKeySGJBKJUPCPYVEG-BPARTEKVSA-N
XLogP3.79
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide (CID 67625345) is N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide is CCOC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(CN2c3ccncc3NC2C)cc1.
What is the InChIKey of N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The InChIKey is SGJBKJUPCPYVEG-BPARTEKVSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-3-32-18-22(15-20-7-5-4-6-8-20)28-33(30,31)23-11-9-21(10-12-23)17-29-19(2)27-24-16-26-14-13-25(24)29/h4-14,16,19,22,27-28H,3,15,17-18H2,1-2H3/t19?,22-/m0/s1.
What are the key properties of N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide has a molecular weight of 466.61 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-ethoxy-3-phenylpropan-2-yl]-4-[(2-methyl-2,3-dihydroimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 67625345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).