N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide

C13H17N3O4S3 — CID 14700211

IUPACN-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1cc2cc(C(=O)NCCN3CCOCC3)sc2s1
InChIInChI=1S/C13H17N3O4S3/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)
InChIKeyFILDPQMHGKDIBE-UHFFFAOYSA-N
MW375.50 g/mol
LogP0.67
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide

N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide (PubChem CID 14700211) has the molecular formula C13H17N3O4S3 and a molecular weight of 375.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
PubChem CID14700211
Molecular FormulaC13H17N3O4S3
Molecular Weight375.50 g/mol
Exact Mass375.04
IUPAC NameN-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1cc2cc(C(=O)NCCN3CCOCC3)sc2s1
InChIInChI=1S/C13H17N3O4S3/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)
InChIKeyFILDPQMHGKDIBE-UHFFFAOYSA-N
XLogP0.67
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(N-2,3-Dihydroxypropylcarbamoyl)thieno[2,3-b]thiophene-2-sulfonamide
CID 14700208
5-Sulfamoyl-thieno[2,3-b]thiophene-2-carboxylic acid (2-methanesulfinyl-ethyl)-amide
CID 14700210
(S)-2-(2-Ethoxy-ethanesulfonylamino)-3-{[5-(2-piperidin-4-yl-ethyl)-thieno[2,3-b]thiophene-2-carbonyl]-amino}-propionic acid
CID 10506080
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 14700204
5-Sulfamoyl-thieno[2,3-b]thiophene-2-carboxylic acid bis-(2-hydroxy-ethyl)-amide
CID 14700207
N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 14700212
5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 14700214
CID 6603385
CID 6603385
N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 45264429
N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 3236764
4-ethyl-5-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 24979018

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide (CID 14700211) is N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide is NS(=O)(=O)c1cc2cc(C(=O)NCCN3CCOCC3)sc2s1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The InChIKey is FILDPQMHGKDIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S3/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).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide is sourced from PubChem (CID 14700211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).