methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate

C12H13NO4S3 — CID 47309729

IUPACmethyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCCc1ccc(S(=O)(=O)Nc2ccsc2C(=O)OC)s1
InChIInChI=1S/C12H13NO4S3/c1-3-8-4-5-10(19-8)20(15,16)13-9-6-7-18-11(9)12(14)17-2/h4-7,13H,3H2,1-2H3
InChIKeyWBSVBPFPUBERAV-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.96
Rot. Bonds5

About methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 47309729) has the molecular formula C12H13NO4S3 and a molecular weight of 331.44 g/mol. Its IUPAC name is methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate
PubChem CID47309729
Molecular FormulaC12H13NO4S3
Molecular Weight331.44 g/mol
Exact Mass331.00
IUPAC Namemethyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCCc1ccc(S(=O)(=O)Nc2ccsc2C(=O)OC)s1
InChIInChI=1S/C12H13NO4S3/c1-3-8-4-5-10(19-8)20(15,16)13-9-6-7-18-11(9)12(14)17-2/h4-7,13H,3H2,1-2H3
InChIKeyWBSVBPFPUBERAV-UHFFFAOYSA-N
XLogP2.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate
CID 114811453
methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate
CID 55014356
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-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 67521124
methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 24621397

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate (CID 47309729) is methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate is CCc1ccc(S(=O)(=O)Nc2ccsc2C(=O)OC)s1.
What is the InChIKey of methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is WBSVBPFPUBERAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S3/c1-3-8-4-5-10(19-8)20(15,16)13-9-6-7-18-11(9)12(14)17-2/h4-7,13H,3H2,1-2H3.
What are the key properties of methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 331.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 47309729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).