methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate

C16H19NO4S2 — CID 47064918

IUPACmethyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C16H19NO4S2/c1-17(11-6-9-13-7-4-3-5-8-13)23(19,20)14-10-12-22-15(14)16(18)21-2/h3-5,7-8,10,12H,6,9,11H2,1-2H3
InChIKeyIPYMNXPMZNWWQZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.79
Rot. Bonds7

About methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 47064918) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID47064918
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Namemethyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C16H19NO4S2/c1-17(11-6-9-13-7-4-3-5-8-13)23(19,20)14-10-12-22-15(14)16(18)21-2/h3-5,7-8,10,12H,6,9,11H2,1-2H3
InChIKeyIPYMNXPMZNWWQZ-UHFFFAOYSA-N
XLogP2.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3460622
methyl 3-[ethyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3367491
methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate
CID 3761777
methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 18148317
3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43294757
methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate
CID 57388725
methyl 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylate
CID 18148503
methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 91886920
methyl 3-[[(2R)-3,3-dimethylbutan-2-yl]-methylsulfamoyl]thiophene-2-carboxylate
CID 35394475
methyl 3-[[2-(3-methylanilino)-2-oxoethyl]-phenylsulfamoyl]thiophene-2-carboxylate
CID 20944573
methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate
CID 155931722

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate (CID 47064918) is methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N(C)CCCc1ccccc1.
What is the InChIKey of methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is IPYMNXPMZNWWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-17(11-6-9-13-7-4-3-5-8-13)23(19,20)14-10-12-22-15(14)16(18)21-2/h3-5,7-8,10,12H,6,9,11H2,1-2H3.
What are the key properties of methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 353.47 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 47064918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).