dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate

C16H16N2O7S2 — CID 55676636

IUPACdimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CNS(=O)(=O)c2cccs2)cc(C(=O)OC)c1
InChIInChI=1S/C16H16N2O7S2/c1-24-15(20)10-6-11(16(21)25-2)8-12(7-10)18-13(19)9-17-27(22,23)14-4-3-5-26-14/h3-8,17H,9H2,1-2H3,(H,18,19)
InChIKeyDIDRUDUCRUDQCJ-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.24
Rot. Bonds7

About dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 55676636) has the molecular formula C16H16N2O7S2 and a molecular weight of 412.45 g/mol. Its IUPAC name is dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID55676636
Molecular FormulaC16H16N2O7S2
Molecular Weight412.45 g/mol
Exact Mass412.04
IUPAC Namedimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CNS(=O)(=O)c2cccs2)cc(C(=O)OC)c1
InChIInChI=1S/C16H16N2O7S2/c1-24-15(20)10-6-11(16(21)25-2)8-12(7-10)18-13(19)9-17-27(22,23)14-4-3-5-26-14/h3-8,17H,9H2,1-2H3,(H,18,19)
InChIKeyDIDRUDUCRUDQCJ-UHFFFAOYSA-N
XLogP1.24
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-acetylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995650
N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 3238020
N-(3-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615673
N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615674
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55993123
N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31973756
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31975893
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678440
methyl 3-[(butanoylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate
CID 118755819
[2-(3,5-dichloroanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25039023
4-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]pentanoic acid
CID 119188469
methyl 3-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999907

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate (CID 55676636) is dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)CNS(=O)(=O)c2cccs2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is DIDRUDUCRUDQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O7S2/c1-24-15(20)10-6-11(16(21)25-2)8-12(7-10)18-13(19)9-17-27(22,23)14-4-3-5-26-14/h3-8,17H,9H2,1-2H3,(H,18,19).
What are the key properties of dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 412.45 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 55676636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).