(2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

C20H24N2O6S — CID 8842049

IUPAC(2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCCOc1ccccc1COC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-27-19-8-6-5-7-16(19)13-28-20(24)14(2)22-29(25,26)18-11-9-17(10-12-18)21-15(3)23/h5-12,14,22H,4,13H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyITCJWIPHAOJQJH-AWEZNQCLSA-N
MW420.49 g/mol
LogP2.45
Rot. Bonds9

About (2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

(2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate (PubChem CID 8842049) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
PubChem CID8842049
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name(2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCCOc1ccccc1COC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-27-19-8-6-5-7-16(19)13-28-20(24)14(2)22-29(25,26)18-11-9-17(10-12-18)21-15(3)23/h5-12,14,22H,4,13H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyITCJWIPHAOJQJH-AWEZNQCLSA-N
XLogP2.45
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927755
1,3-benzoxazol-2-ylmethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 8842063
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
methyl 2-[[4-(4-acetamidophenyl)phenyl]sulfonylamino]propanoate
CID 17441403
naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 8936257
N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2950042
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 24517742
[3-(ethoxycarbonylamino)phenyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55944046
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
2-(4-methylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55323838
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate?
The IUPAC name of (2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate (CID 8842049) is (2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate is CCOc1ccccc1COC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of (2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate?
The InChIKey is ITCJWIPHAOJQJH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-27-19-8-6-5-7-16(19)13-28-20(24)14(2)22-29(25,26)18-11-9-17(10-12-18)21-15(3)23/h5-12,14,22H,4,13H2,1-3H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate?
(2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate has a molecular weight of 420.49 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8842049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).