ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate

C18H21NO5S — CID 101017331

IUPACethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO5S/c1-3-24-18(20)17(13-14-7-5-4-6-8-14)19-25(21,22)16-11-9-15(23-2)10-12-16/h4-12,17,19H,3,13H2,1-2H3
InChIKeyMMKDOKSFHZXNNY-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.15
Rot. Bonds8

About ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate

ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 101017331) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID101017331
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Nameethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO5S/c1-3-24-18(20)17(13-14-7-5-4-6-8-14)19-25(21,22)16-11-9-15(23-2)10-12-16/h4-12,17,19H,3,13H2,1-2H3
InChIKeyMMKDOKSFHZXNNY-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
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 7112317
ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3798120
methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
CID 110504250
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890719
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
CID 156698255
methyl (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 40521531

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate (CID 101017331) is ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is MMKDOKSFHZXNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-3-24-18(20)17(13-14-7-5-4-6-8-14)19-25(21,22)16-11-9-15(23-2)10-12-16/h4-12,17,19H,3,13H2,1-2H3.
What are the key properties of ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
ethyl 2-[(4-methoxyphenyl)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 ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 101017331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).