methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate

C14H15NO4S2 — CID 60715441

IUPACmethyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-19-14(16)10-12(13-8-5-9-20-13)15-21(17,18)11-6-3-2-4-7-11/h2-9,12,15H,10H2,1H3
InChIKeyZDLDJXXIKOWOQY-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.33
Rot. Bonds6

About methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate

methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate (PubChem CID 60715441) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
PubChem CID60715441
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Namemethyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-19-14(16)10-12(13-8-5-9-20-13)15-21(17,18)11-6-3-2-4-7-11/h2-9,12,15H,10H2,1H3
InChIKeyZDLDJXXIKOWOQY-UHFFFAOYSA-N
XLogP2.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
CID 46514642
methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
CID 39983352
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid
CID 43714462
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 46514669
3-[(4-chlorophenyl)sulfonylamino]-3-thiophen-2-ylpropanoic acid
CID 3655458
methyl 3-(benzenesulfonamido)-3-hydroxypropanoate
CID 67140926
methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46534149
methyl 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 46514661
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897987
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
methyl 3-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 50739470
methyl (3S)-3-(cyclohexylmethylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 95733855

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate (CID 60715441) is methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate is COC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccs1.
What is the InChIKey of methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate?
The InChIKey is ZDLDJXXIKOWOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-19-14(16)10-12(13-8-5-9-20-13)15-21(17,18)11-6-3-2-4-7-11/h2-9,12,15H,10H2,1H3.
What are the key properties of methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate?
methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate has a molecular weight of 325.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 60715441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).