methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate

C16H17N5O5S2 — CID 71793742

IUPACmethyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCn1nc(-c2ccccn2)n(C)c1=O
InChIInChI=1S/C16H17N5O5S2/c1-20-14(11-5-3-4-7-17-11)19-21(16(20)23)9-8-18-28(24,25)12-6-10-27-13(12)15(22)26-2/h3-7,10,18H,8-9H2,1-2H3
InChIKeyVXISBGOJNSFIST-UHFFFAOYSA-N
MW423.48 g/mol
LogP0.47
Rot. Bonds7

About methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate

methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate (PubChem CID 71793742) has the molecular formula C16H17N5O5S2 and a molecular weight of 423.48 g/mol. Its IUPAC name is methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
PubChem CID71793742
Molecular FormulaC16H17N5O5S2
Molecular Weight423.48 g/mol
Exact Mass423.07
IUPAC Namemethyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCn1nc(-c2ccccn2)n(C)c1=O
InChIInChI=1S/C16H17N5O5S2/c1-20-14(11-5-3-4-7-17-11)19-21(16(20)23)9-8-18-28(24,25)12-6-10-27-13(12)15(22)26-2/h3-7,10,18H,8-9H2,1-2H3
InChIKeyVXISBGOJNSFIST-UHFFFAOYSA-N
XLogP0.47
TPSA125.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 24817068
methyl 3-(N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 71807972
methyl 3-({2-[4-cyclopropyl-5-oxo-3-(pyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]ethyl}sulfamoyl)thiophene-2-carboxylate
CID 76146549
methyl 3-(N-(1-(pyridin-2-yl)pyrrolidin-3-yl)sulfamoyl)thiophene-2-carboxylate
CID 76149431
Methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate
CID 3256500
Methyl 3-(2-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate
CID 3590127
Methyl 3-(pyridin-3-ylsulfamoyl)thiophene-2-carboxylate
CID 17608777
Methyl 3-(pyridin-2-ylsulfamoyl)thiophene-2-carboxylate
CID 17608781
Methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate
CID 18148314
Methyl 3-[ethyl(2-pyridin-2-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 23884715
Methyl 3-[[[5-(diethylsulfamoyl)-2-pyridinyl]amino]sulfamoyl]thiophene-2-carboxylate
CID 24563222
Methyl 3-[2-[(1-methylpyrrole-2-carbonyl)amino]ethylsulfamoyl]thiophene-2-carboxylate
CID 25539008

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate (CID 71793742) is methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCCn1nc(-c2ccccn2)n(C)c1=O.
What is the InChIKey of methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is VXISBGOJNSFIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O5S2/c1-20-14(11-5-3-4-7-17-11)19-21(16(20)23)9-8-18-28(24,25)12-6-10-27-13(12)15(22)26-2/h3-7,10,18H,8-9H2,1-2H3.
What are the key properties of methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 423.48 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71793742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).