methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate

C16H19NO4S2 — CID 3783614

IUPACmethyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C16H19NO4S2/c1-10(2)13-6-5-12(9-11(13)3)17-23(19,20)14-7-8-22-15(14)16(18)21-4/h5-10,17H,1-4H3
InChIKeyZYSVSSZJXOXUBO-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.77
Rot. Bonds5

About methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 3783614) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID3783614
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Namemethyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C16H19NO4S2/c1-10(2)13-6-5-12(9-11(13)3)17-23(19,20)14-7-8-22-15(14)16(18)21-4/h5-10,17H,1-4H3
InChIKeyZYSVSSZJXOXUBO-UHFFFAOYSA-N
XLogP3.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 39343906
methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16831992
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 5163836
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 43409814
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 43547547
methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate
CID 154755350

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate (CID 3783614) is methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(C)C)c(C)c1.
What is the InChIKey of methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is ZYSVSSZJXOXUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-10(2)13-6-5-12(9-11(13)3)17-23(19,20)14-7-8-22-15(14)16(18)21-4/h5-10,17H,1-4H3.
What are the key properties of methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 353.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 3783614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).