methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate

C19H17NO4S2 — CID 3460622

IUPACmethyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO4S2/c1-24-19(21)18-17(12-13-25-18)26(22,23)20(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3
InChIKeyMWDZYWIQIUBWPG-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.93
Rot. Bonds6

About methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 3460622) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID3460622
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC Namemethyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO4S2/c1-24-19(21)18-17(12-13-25-18)26(22,23)20(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3
InChIKeyMWDZYWIQIUBWPG-UHFFFAOYSA-N
XLogP3.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[ethyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3367491
methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate
CID 47064918
methyl 3-[[2-(3-methylanilino)-2-oxoethyl]-phenylsulfamoyl]thiophene-2-carboxylate
CID 20944573
methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 91886920
methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate
CID 57388725
2-[benzyl(phenyl)sulfamoyl]benzoic acid
CID 18615547
methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate
CID 3761777
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
methyl 3-(dibenzylcarbamothioylamino)thiophene-2-carboxylate
CID 46506384
methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 66185946
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
CID 33098006
methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 16956742

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate (CID 3460622) is methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is MWDZYWIQIUBWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S2/c1-24-19(21)18-17(12-13-25-18)26(22,23)20(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3.
What are the key properties of methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 3460622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).