3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide

C25H29N3O5S — CID 55945803

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)CCNS(=O)(=O)c3ccc(C)cc3C)ccn2)cc1
InChIInChI=1S/C25H29N3O5S/c1-4-32-21-6-8-22(9-7-21)33-25-16-20(11-13-26-25)17-27-24(29)12-14-28-34(30,31)23-10-5-18(2)15-19(23)3/h5-11,13,15-16,28H,4,12,14,17H2,1-3H3,(H,27,29)
InChIKeyFYPNPNHPDLSFSG-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.87
Rot. Bonds11

About 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide

3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide (PubChem CID 55945803) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide
PubChem CID55945803
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)CCNS(=O)(=O)c3ccc(C)cc3C)ccn2)cc1
InChIInChI=1S/C25H29N3O5S/c1-4-32-21-6-8-22(9-7-21)33-25-16-20(11-13-26-25)17-27-24(29)12-14-28-34(30,31)23-10-5-18(2)15-19(23)3/h5-11,13,15-16,28H,4,12,14,17H2,1-3H3,(H,27,29)
InChIKeyFYPNPNHPDLSFSG-UHFFFAOYSA-N
XLogP3.87
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 55849533
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55869727
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55349463
2-cyclohexyl-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 55887691
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55656360
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47063430

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide (CID 55945803) is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide is CCOc1ccc(Oc2cc(CNC(=O)CCNS(=O)(=O)c3ccc(C)cc3C)ccn2)cc1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide?
The InChIKey is FYPNPNHPDLSFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-4-32-21-6-8-22(9-7-21)33-25-16-20(11-13-26-25)17-27-24(29)12-14-28-34(30,31)23-10-5-18(2)15-19(23)3/h5-11,13,15-16,28H,4,12,14,17H2,1-3H3,(H,27,29).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide has a molecular weight of 483.59 g/mol, XLogP of 3.87, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55945803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).