methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate

C21H26N2O7S2 — CID 36709924

IUPACmethyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCC(=O)Nc2ccsc2C(=O)OC)cc1
InChIInChI=1S/C21H26N2O7S2/c1-4-23(5-2)32(27,28)16-9-6-15(7-10-16)8-11-19(25)30-14-18(24)22-17-12-13-31-20(17)21(26)29-3/h6-7,9-10,12-13H,4-5,8,11,14H2,1-3H3,(H,22,24)
InChIKeyVZIYTRYXEYWTRV-UHFFFAOYSA-N
MW482.58 g/mol
LogP2.68
Rot. Bonds11

About methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate (PubChem CID 36709924) has the molecular formula C21H26N2O7S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate
PubChem CID36709924
Molecular FormulaC21H26N2O7S2
Molecular Weight482.58 g/mol
Exact Mass482.12
IUPAC Namemethyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCC(=O)Nc2ccsc2C(=O)OC)cc1
InChIInChI=1S/C21H26N2O7S2/c1-4-23(5-2)32(27,28)16-9-6-15(7-10-16)8-11-19(25)30-14-18(24)22-17-12-13-31-20(17)21(26)29-3/h6-7,9-10,12-13H,4-5,8,11,14H2,1-3H3,(H,22,24)
InChIKeyVZIYTRYXEYWTRV-UHFFFAOYSA-N
XLogP2.68
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35379939
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609829
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35380229
[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643701
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8626147
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 55403662
N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27830039
N-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 42059780
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
CID 61009529
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 55403519
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557649

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate (CID 36709924) is methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCC(=O)Nc2ccsc2C(=O)OC)cc1.
What is the InChIKey of methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is VZIYTRYXEYWTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7S2/c1-4-23(5-2)32(27,28)16-9-6-15(7-10-16)8-11-19(25)30-14-18(24)22-17-12-13-31-20(17)21(26)29-3/h6-7,9-10,12-13H,4-5,8,11,14H2,1-3H3,(H,22,24).
What are the key properties of methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate has a molecular weight of 482.58 g/mol, XLogP of 2.68, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 36709924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).