methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate

C19H21N3O5S2 — CID 24791271

IUPACmethyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(C)c1cnn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C19H21N3O5S2/c1-12(21-29(24,25)17-9-10-28-18(17)19(23)27-4)16-11-20-22(13(16)2)14-5-7-15(26-3)8-6-14/h5-12,21H,1-4H3
InChIKeyFUVQWJIRWNDQIS-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.08
Rot. Bonds7

About methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate

methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate (PubChem CID 24791271) has the molecular formula C19H21N3O5S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate
PubChem CID24791271
Molecular FormulaC19H21N3O5S2
Molecular Weight435.53 g/mol
Exact Mass435.09
IUPAC Namemethyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(C)c1cnn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C19H21N3O5S2/c1-12(21-29(24,25)17-9-10-28-18(17)19(23)27-4)16-11-20-22(13(16)2)14-5-7-15(26-3)8-6-14/h5-12,21H,1-4H3
InChIKeyFUVQWJIRWNDQIS-UHFFFAOYSA-N
XLogP3.08
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate (CID 24791271) is methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NC(C)c1cnn(-c2ccc(OC)cc2)c1C.
What is the InChIKey of methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is FUVQWJIRWNDQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S2/c1-12(21-29(24,25)17-9-10-28-18(17)19(23)27-4)16-11-20-22(13(16)2)14-5-7-15(26-3)8-6-14/h5-12,21H,1-4H3.
What are the key properties of methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 435.53 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 24791271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).