5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride

C23H29ClN4O4S2 — CID 11699320

IUPAC5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCC(c3cccnc3)N3CCOCC3)s2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C23H28N4O4S2.ClH/c1-3-17-13-19(16(2)26-23(17)28)21-6-7-22(32-21)33(29,30)25-15-20(18-5-4-8-24-14-18)27-9-11-31-12-10-27;/h4-8,13-14,20,25H,3,9-12,15H2,1-2H3,(H,26,28);1H
InChIKeyGZEZYAHQMNUHSJ-UHFFFAOYSA-N
MW525.10 g/mol
LogP3.14
Rot. Bonds8

About 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 11699320) has the molecular formula C23H29ClN4O4S2 and a molecular weight of 525.10 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
PubChem CID11699320
Molecular FormulaC23H29ClN4O4S2
Molecular Weight525.10 g/mol
Exact Mass524.13
IUPAC Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCC(c3cccnc3)N3CCOCC3)s2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C23H28N4O4S2.ClH/c1-3-17-13-19(16(2)26-23(17)28)21-6-7-22(32-21)33(29,30)25-15-20(18-5-4-8-24-14-18)27-9-11-31-12-10-27;/h4-8,13-14,20,25H,3,9-12,15H2,1-2H3,(H,26,28);1H
InChIKeyGZEZYAHQMNUHSJ-UHFFFAOYSA-N
XLogP3.14
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.10
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-(4-ethylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl)thiophene-2-sulfonamide
CID 16194574
N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 24818196
5-chloro-N-[(2S)-2-[(2-ethyl-3-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 67155403
N-[1-(Morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]pyridine-3-carboxamide
CID 3241321
N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 3242080
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 3242773
N-(pyridin-3-ylmethyl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3239066
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-(2-morpholin-4-yl-ethyl)-carbamoyl]-methyl}-amide
CID 648858
N-(2-morpholino-2-(pyridin-3-yl)ethyl)thiophene-2-sulfonamide
CID 3239525
2-[6-methyl-5-(morpholin-4-ylsulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 3240985
[2-(4-Methyl-1-piperazinyl)-2-(3-pyridyl)ethylamino](oxo)-2-thienyl-lambda-sulfaniumolate
CID 16194569
2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18150834

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride (CID 11699320) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride is CCc1cc(-c2ccc(S(=O)(=O)NCC(c3cccnc3)N3CCOCC3)s2)c(C)[nH]c1=O.Cl.
What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is GZEZYAHQMNUHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2.ClH/c1-3-17-13-19(16(2)26-23(17)28)21-6-7-22(32-21)33(29,30)25-15-20(18-5-4-8-24-14-18)27-9-11-31-12-10-27;/h4-8,13-14,20,25H,3,9-12,15H2,1-2H3,(H,26,28);1H.
What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride?
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 525.10 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 11699320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).