methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate

C14H21NO5S — CID 81353565

IUPACmethyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N[C@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO5S/c1-11(12-6-8-13(19-2)9-7-12)15-21(17,18)10-4-5-14(16)20-3/h6-9,11,15H,4-5,10H2,1-3H3/t11-/m1/s1
InChIKeyDFUKFLZKDKQFRH-LLVKDONJSA-N
MW315.39 g/mol
LogP1.63
Rot. Bonds8

About methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate

methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate (PubChem CID 81353565) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate
PubChem CID81353565
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Namemethyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N[C@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO5S/c1-11(12-6-8-13(19-2)9-7-12)15-21(17,18)10-4-5-14(16)20-3/h6-9,11,15H,4-5,10H2,1-3H3/t11-/m1/s1
InChIKeyDFUKFLZKDKQFRH-LLVKDONJSA-N
XLogP1.63
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]butanoate
CID 81350625
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 107858721
3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 106070641
methyl 6-(4-methoxyphenyl)heptanoate
CID 174989555
methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate
CID 61460718
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
methyl 4-[(2-hydroxy-4-methoxyphenyl)sulfamoyl]butanoate
CID 102695904
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533
2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 81370607
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate
CID 103943303
N-[1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 47371512

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate?
The IUPAC name of methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate (CID 81353565) is methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)N[C@H](C)c1ccc(OC)cc1.
What is the InChIKey of methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate?
The InChIKey is DFUKFLZKDKQFRH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-11(12-6-8-13(19-2)9-7-12)15-21(17,18)10-4-5-14(16)20-3/h6-9,11,15H,4-5,10H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate?
methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate has a molecular weight of 315.39 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate is sourced from PubChem (CID 81353565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).