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

C19H23NO4S — CID 4013982

IUPACethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H23NO4S/c1-4-24-19(21)13-18(16-9-5-14(2)6-10-16)20-25(22,23)17-11-7-15(3)8-12-17/h5-12,18,20H,4,13H2,1-3H3
InChIKeyPAOUBLUWLMNKIA-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.28
Rot. Bonds7

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

ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 4013982) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID4013982
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Nameethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H23NO4S/c1-4-24-19(21)13-18(16-9-5-14(2)6-10-16)20-25(22,23)17-11-7-15(3)8-12-17/h5-12,18,20H,4,13H2,1-3H3
InChIKeyPAOUBLUWLMNKIA-UHFFFAOYSA-N
XLogP3.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
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
ethyl 5-[(4-methylphenyl)sulfonylamino]-3-oxo-5-phenylpentanoate
CID 102079264
ethyl (3R)-3-(4-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7044296
3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 3788458
ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844974
diethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]propanedioate
CID 23659117
tert-butyl (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 11025192
ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844788
ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40884931
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (CID 4013982) is ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is CCOC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is PAOUBLUWLMNKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-4-24-19(21)13-18(16-9-5-14(2)6-10-16)20-25(22,23)17-11-7-15(3)8-12-17/h5-12,18,20H,4,13H2,1-3H3.
What are the key properties of ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 361.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 4013982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).