methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate

C16H17N3O4S2 — CID 71802056

IUPACmethyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCCN(Cc1cnc2ccccn12)S(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C16H17N3O4S2/c1-3-18(11-12-10-17-14-6-4-5-8-19(12)14)25(21,22)13-7-9-24-15(13)16(20)23-2/h4-10H,3,11H2,1-2H3
InChIKeyWEGHQRFGSKXYEV-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.39
Rot. Bonds6

About methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 71802056) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID71802056
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Namemethyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCCN(Cc1cnc2ccccn12)S(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C16H17N3O4S2/c1-3-18(11-12-10-17-14-6-4-5-8-19(12)14)25(21,22)13-7-9-24-15(13)16(20)23-2/h4-10H,3,11H2,1-2H3
InChIKeyWEGHQRFGSKXYEV-UHFFFAOYSA-N
XLogP2.39
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate (CID 71802056) is methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate is CCN(Cc1cnc2ccccn12)S(=O)(=O)c1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is WEGHQRFGSKXYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-3-18(11-12-10-17-14-6-4-5-8-19(12)14)25(21,22)13-7-9-24-15(13)16(20)23-2/h4-10H,3,11H2,1-2H3.
What are the key properties of methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(imidazo[1,2-a]pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71802056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).