methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate

C11H11NO4S3 — CID 8842276

IUPACmethyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2cccs2)cc1C
InChIInChI=1S/C11H11NO4S3/c1-7-6-8(18-10(7)11(13)16-2)12-19(14,15)9-4-3-5-17-9/h3-6,12H,1-2H3
InChIKeyBKHMEGRXCQUCTI-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.71
Rot. Bonds4

About methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate

methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate (PubChem CID 8842276) has the molecular formula C11H11NO4S3 and a molecular weight of 317.41 g/mol. Its IUPAC name is methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate
PubChem CID8842276
Molecular FormulaC11H11NO4S3
Molecular Weight317.41 g/mol
Exact Mass316.99
IUPAC Namemethyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2cccs2)cc1C
InChIInChI=1S/C11H11NO4S3/c1-7-6-8(18-10(7)11(13)16-2)12-19(14,15)9-4-3-5-17-9/h3-6,12H,1-2H3
InChIKeyBKHMEGRXCQUCTI-UHFFFAOYSA-N
XLogP2.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842360
methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 8842307
methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 67970194
methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842336
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8515185
methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 8842372
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
CID 108783728
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 43406404
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate (CID 8842276) is methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate is COC(=O)c1sc(NS(=O)(=O)c2cccs2)cc1C.
What is the InChIKey of methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate?
The InChIKey is BKHMEGRXCQUCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S3/c1-7-6-8(18-10(7)11(13)16-2)12-19(14,15)9-4-3-5-17-9/h3-6,12H,1-2H3.
What are the key properties of methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate?
methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate has a molecular weight of 317.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 8842276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).