N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide

C24H30N4O4S — CID 68720224

IUPACN-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide
SMILESCCCOc1nc(CC)c(CN)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C24H30N4O4S/c1-4-14-32-24-26-21(5-2)22(15-25)28(24)16-18-10-12-19(13-11-18)20-8-6-7-9-23(20)33(30,31)27-17(3)29/h6-13H,4-5,14-16,25H2,1-3H3,(H,27,29)
InChIKeyPRGWVUZWSKTORM-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.23
Rot. Bonds10

About N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide

N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide (PubChem CID 68720224) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide
PubChem CID68720224
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide
SMILESCCCOc1nc(CC)c(CN)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C24H30N4O4S/c1-4-14-32-24-26-21(5-2)22(15-25)28(24)16-18-10-12-19(13-11-18)20-8-6-7-9-23(20)33(30,31)27-17(3)29/h6-13H,4-5,14-16,25H2,1-3H3,(H,27,29)
InChIKeyPRGWVUZWSKTORM-UHFFFAOYSA-N
XLogP3.23
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide (CID 68720224) is N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide is CCCOc1nc(CC)c(CN)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)cc1.
What is the InChIKey of N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide?
The InChIKey is PRGWVUZWSKTORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-4-14-32-24-26-21(5-2)22(15-25)28(24)16-18-10-12-19(13-11-18)20-8-6-7-9-23(20)33(30,31)27-17(3)29/h6-13H,4-5,14-16,25H2,1-3H3,(H,27,29).
What are the key properties of N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide?
N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide has a molecular weight of 470.60 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 68720224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).