methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate

C14H15NO4S2 — CID 60675264

IUPACmethyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H15NO4S2/c1-9-6-10(2)8-11(7-9)21(17,18)15-12-4-5-20-13(12)14(16)19-3/h4-8,15H,1-3H3
InChIKeyCMTWXOCIPDQOPG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds4

About methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 60675264) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
PubChem CID60675264
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Namemethyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H15NO4S2/c1-9-6-10(2)8-11(7-9)21(17,18)15-12-4-5-20-13(12)14(16)19-3/h4-8,15H,1-3H3
InChIKeyCMTWXOCIPDQOPG-UHFFFAOYSA-N
XLogP2.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372
methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 30713838
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 38890684
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 43255563
methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 67521124
methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 39828527

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate (CID 60675264) is methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1cc(C)cc(C)c1.
What is the InChIKey of methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is CMTWXOCIPDQOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9-6-10(2)8-11(7-9)21(17,18)15-12-4-5-20-13(12)14(16)19-3/h4-8,15H,1-3H3.
What are the key properties of methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 60675264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).