2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid

C12H17NO5S — CID 81370607

IUPAC2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid
SMILESCOc1ccc([C@H](C)NS(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C12H17NO5S/c1-8(10-4-6-11(18-3)7-5-10)13-19(16,17)9(2)12(14)15/h4-9,13H,1-3H3,(H,14,15)/t8-,9?/m0/s1
InChIKeyLMHXOXVLKGNPOG-IENPIDJESA-N
MW287.34 g/mol
LogP1.15
Rot. Bonds6

About 2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid

2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid (PubChem CID 81370607) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid
PubChem CID81370607
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid
SMILESCOc1ccc([C@H](C)NS(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C12H17NO5S/c1-8(10-4-6-11(18-3)7-5-10)13-19(16,17)9(2)12(14)15/h4-9,13H,1-3H3,(H,14,15)/t8-,9?/m0/s1
InChIKeyLMHXOXVLKGNPOG-IENPIDJESA-N
XLogP1.15
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 107858721
methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate
CID 81353565
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498878
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid
CID 61454372
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid (CID 81370607) is 2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid is COc1ccc([C@H](C)NS(=O)(=O)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid?
The InChIKey is LMHXOXVLKGNPOG-IENPIDJESA-N. The full InChI is InChI=1S/C12H17NO5S/c1-8(10-4-6-11(18-3)7-5-10)13-19(16,17)9(2)12(14)15/h4-9,13H,1-3H3,(H,14,15)/t8-,9?/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid?
2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 81370607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).