5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride

C13H18ClN3O3S4 — CID 14700214

IUPAC5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc2cc(C(=O)NCCN3CCSCC3)sc2s1
InChIInChI=1S/C13H17N3O3S4.ClH/c14-23(18,19)11-8-9-7-10(21-13(9)22-11)12(17)15-1-2-16-3-5-20-6-4-16;/h7-8H,1-6H2,(H,15,17)(H2,14,18,19);1H
InChIKeyVENTTXOWXOXNGY-UHFFFAOYSA-N
MW428.03 g/mol
LogP1.81
Rot. Bonds5

About 5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride

5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride (PubChem CID 14700214) has the molecular formula C13H18ClN3O3S4 and a molecular weight of 428.03 g/mol. Its IUPAC name is 5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride
PubChem CID14700214
Molecular FormulaC13H18ClN3O3S4
Molecular Weight428.03 g/mol
Exact Mass426.99
IUPAC Name5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc2cc(C(=O)NCCN3CCSCC3)sc2s1
InChIInChI=1S/C13H17N3O3S4.ClH/c14-23(18,19)11-8-9-7-10(21-13(9)22-11)12(17)15-1-2-16-3-5-20-6-4-16;/h7-8H,1-6H2,(H,15,17)(H2,14,18,19);1H
InChIKeyVENTTXOWXOXNGY-UHFFFAOYSA-N
XLogP1.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.03
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

5-Sulfamoyl-thieno[2,3-b]thiophene-2-carboxylic acid (2-methanesulfinyl-ethyl)-amide
CID 14700210
N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 14700204
N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 14700212
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
(3-Methylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2571741
N-(thien-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5,5-dioxide
CID 3238829
N-(2-cyclohex-1-en-1-ylethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5,5-dioxide
CID 3240940
3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 5105832
N-[2-(Thiophen-2-YL)-2-(thiophene-2-sulfonyl)ethyl]benzamide
CID 16032221
3-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
CID 18574881
N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 45264429

Frequently Asked Questions

What is the IUPAC name of 5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride (CID 14700214) is 5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride is Cl.NS(=O)(=O)c1cc2cc(C(=O)NCCN3CCSCC3)sc2s1.
What is the InChIKey of 5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
The InChIKey is VENTTXOWXOXNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S4.ClH/c14-23(18,19)11-8-9-7-10(21-13(9)22-11)12(17)15-1-2-16-3-5-20-6-4-16;/h7-8H,1-6H2,(H,15,17)(H2,14,18,19);1H.
What are the key properties of 5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride has a molecular weight of 428.03 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 14700214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).