methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate

C16H14N2O4S3 — CID 91625862

IUPACmethyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C16H14N2O4S3/c1-22-16(19)15-13(6-9-24-15)25(20,21)18-10-11-4-2-7-17-14(11)12-5-3-8-23-12/h2-9,18H,10H2,1H3
InChIKeyGEQJONDZGZXXIK-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.14
Rot. Bonds6

About methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate

methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 91625862) has the molecular formula C16H14N2O4S3 and a molecular weight of 394.50 g/mol. Its IUPAC name is methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate
PubChem CID91625862
Molecular FormulaC16H14N2O4S3
Molecular Weight394.50 g/mol
Exact Mass394.01
IUPAC Namemethyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C16H14N2O4S3/c1-22-16(19)15-13(6-9-24-15)25(20,21)18-10-11-4-2-7-17-14(11)12-5-3-8-23-12/h2-9,18H,10H2,1H3
InChIKeyGEQJONDZGZXXIK-UHFFFAOYSA-N
XLogP3.14
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 5-(tert-butyl)-3-[(2-pyridylsulfonyl)methyl]thiophene-2-carboxylate
CID 2739083
Methyl 4-{[2-(3-methylthiophen-2-YL)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552126
Methyl 4-fluoro-3-{[(pyridin-3-ylmethyl)amino]sulfonyl}-1-benzothiophene-2-carboxylate
CID 16956763
Methyl 1-methyl-4-[({1-[2-(thiophen-2-YL)ethyl]piperidin-4-YL}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938662
Methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 24817068
3-(3-Methyl-indole-1-sulfonyl)-thiophene-2-carboxylic acid
CID 44393786
methyl 2-(2-phenylethylsulfamoyl)-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45489151
3-(3-Methyl-2-thienyl)-5-{[(pyridin-2-ylmethyl)amino]sulfonyl}benzoic acid
CID 56874864
Thiophene-2-carboxylic acid, 3-[5-(2-pyridyl)-2-thienyl]-2-propynyl ester
CID 607455
Ethyl 3-{[(pyridin-2-ylmethyl)amino]sulfonyl}-1-benzothiophene-2-carboxylate
CID 16956759
methyl 3-(N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)sulfamoyl)thiophene-2-carboxylate
CID 71790798
Methyl 4-{[(pyridin-3-yl)methyl][2-(thiophen-2-yl)ethyl]sulfamoyl}benzoate
CID 71796638

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate (CID 91625862) is methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1cccnc1-c1cccs1.
What is the InChIKey of methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is GEQJONDZGZXXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S3/c1-22-16(19)15-13(6-9-24-15)25(20,21)18-10-11-4-2-7-17-14(11)12-5-3-8-23-12/h2-9,18H,10H2,1H3.
What are the key properties of methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 394.50 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 91625862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).