ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate

C19H22N2O5S — CID 7112317

IUPACethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-26-19(23)18(13-15-7-5-4-6-8-15)21-27(24,25)17-11-9-16(10-12-17)20-14(2)22/h4-12,18,21H,3,13H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyQTIIUQCSZDWTJC-SFHVURJKSA-N
MW390.46 g/mol
LogP2.10
Rot. Bonds8

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

ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 7112317) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID7112317
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Nameethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-26-19(23)18(13-15-7-5-4-6-8-15)21-27(24,25)17-11-9-16(10-12-17)20-14(2)22/h4-12,18,21H,3,13H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyQTIIUQCSZDWTJC-SFHVURJKSA-N
XLogP2.10
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 40521531
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
(2R)-2-[[4-(ethoxycarbonylamino)phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 2185120
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
(2S)-2-[[4-(ethoxycarbonylamino)phenyl]sulfonylamino]-3-phenylpropanoate
CID 2185117
ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3798120
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 30167679
N-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3913906
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate (CID 7112317) is ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate is CCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is QTIIUQCSZDWTJC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-26-19(23)18(13-15-7-5-4-6-8-15)21-27(24,25)17-11-9-16(10-12-17)20-14(2)22/h4-12,18,21H,3,13H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate?
ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 390.46 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 7112317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).