N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride

C15H24ClN3O5S3 — CID 45264429

IUPACN-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
SMILESCOCCN(CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1)CCOC.Cl
InChIInChI=1S/C15H23N3O5S3.ClH/c1-22-7-5-18(6-8-23-2)4-3-17-14(19)12-9-11-10-13(26(16,20)21)25-15(11)24-12;/h9-10H,3-8H2,1-2H3,(H,17,19)(H2,16,20,21);1H
InChIKeyBRHNZUSTZRVVOO-UHFFFAOYSA-N
MW458.03 g/mol
LogP1.36
Rot. Bonds11

About N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride

N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride (PubChem CID 45264429) has the molecular formula C15H24ClN3O5S3 and a molecular weight of 458.03 g/mol. Its IUPAC name is N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
PubChem CID45264429
Molecular FormulaC15H24ClN3O5S3
Molecular Weight458.03 g/mol
Exact Mass457.06
IUPAC NameN-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
SMILESCOCCN(CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1)CCOC.Cl
InChIInChI=1S/C15H23N3O5S3.ClH/c1-22-7-5-18(6-8-23-2)4-3-17-14(19)12-9-11-10-13(26(16,20)21)25-15(11)24-12;/h9-10H,3-8H2,1-2H3,(H,17,19)(H2,16,20,21);1H
InChIKeyBRHNZUSTZRVVOO-UHFFFAOYSA-N
XLogP1.36
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.03
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
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
N-[1-(cyanomethylamino)-3-(2-methylpropylsulfonyl)-1-oxopropan-2-yl]thieno[2,3-b]thiophene-5-carboxamide
CID 60166497
N-methyl-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
CID 14700205
N-(3-methoxypropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5,5-dioxide
CID 3240089
5-Sulfamoyl-thieno[2,3-b]thiophene-2-carboxylic acid (2-dimethylamino-ethyl)-amide; hydrochloride
CID 14700203
5-Sulfamoyl-thieno[2,3-b]thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide; hydrochloride
CID 14700211
N-[[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823725

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride (CID 45264429) is N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride is COCCN(CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1)CCOC.Cl.
What is the InChIKey of N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
The InChIKey is BRHNZUSTZRVVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S3.ClH/c1-22-7-5-18(6-8-23-2)4-3-17-14(19)12-9-11-10-13(26(16,20)21)25-15(11)24-12;/h9-10H,3-8H2,1-2H3,(H,17,19)(H2,16,20,21);1H.
What are the key properties of N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride has a molecular weight of 458.03 g/mol, XLogP of 1.36, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 45264429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).