2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide

C18H23N3O4S — CID 21156633

IUPAC2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCCOc1ccc(CS(=O)(=O)NC(C)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-25-17-6-4-16(5-7-17)13-26(23,24)21-14(2)18(22)20-12-15-8-10-19-11-9-15/h4-11,14,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyPVFKOTAKLHMGGT-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.60
Rot. Bonds9

About 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide

2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 21156633) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID21156633
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCCOc1ccc(CS(=O)(=O)NC(C)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-25-17-6-4-16(5-7-17)13-26(23,24)21-14(2)18(22)20-12-15-8-10-19-11-9-15/h4-11,14,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyPVFKOTAKLHMGGT-UHFFFAOYSA-N
XLogP1.60
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 30167436
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28561746
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43872765
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
5-[(4-ethoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 2166338
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 6493165
2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 22299265
2-(2-ethoxyethoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55923975
3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144884
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide (CID 21156633) is 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide is CCOc1ccc(CS(=O)(=O)NC(C)C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is PVFKOTAKLHMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-25-17-6-4-16(5-7-17)13-26(23,24)21-14(2)18(22)20-12-15-8-10-19-11-9-15/h4-11,14,21H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 377.47 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 21156633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).