methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate

C16H18FNO4S2 — CID 59180382

IUPACmethyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C16H18FNO4S2/c1-16(2,3)10-5-6-13(11(17)9-10)24(20,21)18-12-7-8-23-14(12)15(19)22-4/h5-9,18H,1-4H3
InChIKeyOFAMCYDVVFXPGJ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.77
Rot. Bonds4

About methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 59180382) has the molecular formula C16H18FNO4S2 and a molecular weight of 371.46 g/mol. Its IUPAC name is methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
PubChem CID59180382
Molecular FormulaC16H18FNO4S2
Molecular Weight371.46 g/mol
Exact Mass371.07
IUPAC Namemethyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C16H18FNO4S2/c1-16(2,3)10-5-6-13(11(17)9-10)24(20,21)18-12-7-8-23-14(12)15(19)22-4/h5-9,18H,1-4H3
InChIKeyOFAMCYDVVFXPGJ-UHFFFAOYSA-N
XLogP3.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 43255563
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 38890684
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-[(5-amino-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 43604954
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 65427405
methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 24621397
methyl 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 60779698
methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate
CID 47309729

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate (CID 59180382) is methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1F.
What is the InChIKey of methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is OFAMCYDVVFXPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S2/c1-16(2,3)10-5-6-13(11(17)9-10)24(20,21)18-12-7-8-23-14(12)15(19)22-4/h5-9,18H,1-4H3.
What are the key properties of methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 371.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-tert-butyl-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 59180382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).