methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate

C18H21NO5S — CID 78516433

IUPACmethyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)OC)cc1
InChIInChI=1S/C18H21NO5S/c1-3-24-15-9-11-16(12-10-15)25(21,22)19-17(18(20)23-2)13-14-7-5-4-6-8-14/h4-12,17,19H,3,13H2,1-2H3
InChIKeyPJHWZWTYFJHJDX-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.15
Rot. Bonds8

About methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate

methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 78516433) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID78516433
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Namemethyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)OC)cc1
InChIInChI=1S/C18H21NO5S/c1-3-24-15-9-11-16(12-10-15)25(21,22)19-17(18(20)23-2)13-14-7-5-4-6-8-14/h4-12,17,19H,3,13H2,1-2H3
InChIKeyPJHWZWTYFJHJDX-UHFFFAOYSA-N
XLogP2.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
CID 110504250
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167334
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891417
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 30167679
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 30167342
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 30167382

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate (CID 78516433) is methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate is CCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is PJHWZWTYFJHJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-3-24-15-9-11-16(12-10-15)25(21,22)19-17(18(20)23-2)13-14-7-5-4-6-8-14/h4-12,17,19H,3,13H2,1-2H3.
What are the key properties of methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate?
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 363.44 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 78516433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).