ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate

C16H18N2O5S2 — CID 16553849

IUPACethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-3-23-16(20)12-4-6-13(7-5-12)18-25(21,22)15-9-8-14(24-15)10-17-11(2)19/h4-9,18H,3,10H2,1-2H3,(H,17,19)
InChIKeyZPEFWUCVSXUOSC-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.36
Rot. Bonds7

About ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate

ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate (PubChem CID 16553849) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate
PubChem CID16553849
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Nameethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-3-23-16(20)12-4-6-13(7-5-12)18-25(21,22)15-9-8-14(24-15)10-17-11(2)19/h4-9,18H,3,10H2,1-2H3,(H,17,19)
InChIKeyZPEFWUCVSXUOSC-UHFFFAOYSA-N
XLogP2.36
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553889
N-[[5-[(3,4-dimethoxyphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553867
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 30036270
N-[[5-[(4-acetamido-3-chlorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16604918
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119988458
N-[[5-(phenylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823706
ethyl (E)-3-[2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]anilino]-2-cyanoprop-2-enoate
CID 16553789
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553878
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate (CID 16553849) is ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1.
What is the InChIKey of ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate?
The InChIKey is ZPEFWUCVSXUOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-3-23-16(20)12-4-6-13(7-5-12)18-25(21,22)15-9-8-14(24-15)10-17-11(2)19/h4-9,18H,3,10H2,1-2H3,(H,17,19).
What are the key properties of ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate?
ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate has a molecular weight of 382.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate is sourced from PubChem (CID 16553849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).