3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate

C18H20NO5S- — CID 3788458

IUPAC3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(C(CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO5S/c1-3-24-15-8-6-14(7-9-15)17(12-18(20)21)19-25(22,23)16-10-4-13(2)5-11-16/h4-11,17,19H,3,12H2,1-2H3,(H,20,21)/p-1
InChIKeyFSTMZBGKAUYQOV-UHFFFAOYSA-M
MW362.43 g/mol
LogP1.55
Rot. Bonds8

About 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate

3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 3788458) has the molecular formula C18H20NO5S- and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID3788458
Molecular FormulaC18H20NO5S-
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(C(CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO5S/c1-3-24-15-8-6-14(7-9-15)17(12-18(20)21)19-25(22,23)16-10-4-13(2)5-11-16/h4-11,17,19H,3,12H2,1-2H3,(H,20,21)/p-1
InChIKeyFSTMZBGKAUYQOV-UHFFFAOYSA-M
XLogP1.55
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
(3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 9119766
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305
(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 2459105
(3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate
CID 7323445
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
ethyl 3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164862354
ethyl (3S)-3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164861943
(3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate
CID 6921315
ethyl (3R)-3-[(2,5-diethoxyphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 41092589
3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-octylpropanamide
CID 46371459

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (CID 3788458) is 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is CCOc1ccc(C(CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is FSTMZBGKAUYQOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H21NO5S/c1-3-24-15-8-6-14(7-9-15)17(12-18(20)21)19-25(22,23)16-10-4-13(2)5-11-16/h4-11,17,19H,3,12H2,1-2H3,(H,20,21)/p-1.
What are the key properties of 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 362.43 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 3788458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).