methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate

C17H20N2O4S — CID 167924559

IUPACmethyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate
SMILESCCc1ccccc1S(=O)(=O)NC(Cc1ccncc1)C(=O)OC
InChIInChI=1S/C17H20N2O4S/c1-3-14-6-4-5-7-16(14)24(21,22)19-15(17(20)23-2)12-13-8-10-18-11-9-13/h4-11,15,19H,3,12H2,1-2H3
InChIKeyYZBGQXKHFRJRDQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.71
Rot. Bonds7

About methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate

methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate (PubChem CID 167924559) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate
PubChem CID167924559
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Namemethyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate
SMILESCCc1ccccc1S(=O)(=O)NC(Cc1ccncc1)C(=O)OC
InChIInChI=1S/C17H20N2O4S/c1-3-14-6-4-5-7-16(14)24(21,22)19-15(17(20)23-2)12-13-8-10-18-11-9-13/h4-11,15,19H,3,12H2,1-2H3
InChIKeyYZBGQXKHFRJRDQ-UHFFFAOYSA-N
XLogP1.71
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(2-iodylphenyl)sulfonylamino]-3-phenylpropanoate
CID 101343894
methyl 3-(4-chlorophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoate
CID 3876135
methyl (2S)-2-(methoxycarbonylamino)-3-pyridin-4-ylpropanoate
CID 169081526
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3825540
ethyl 2-[(4-bromo-2-ethylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3287288
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
methyl (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 45479958
methyl 2-[(3-chloro-2-hydroxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate
CID 167765633
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28542536

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate?
The IUPAC name of methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate (CID 167924559) is methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate is CCc1ccccc1S(=O)(=O)NC(Cc1ccncc1)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate?
The InChIKey is YZBGQXKHFRJRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-14-6-4-5-7-16(14)24(21,22)19-15(17(20)23-2)12-13-8-10-18-11-9-13/h4-11,15,19H,3,12H2,1-2H3.
What are the key properties of methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate?
methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate has a molecular weight of 348.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 167924559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).