N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride

C19H30ClN3O3S2 — CID 71082844

IUPACN-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCCN(CC)CC)s2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C19H29N3O3S2.ClH/c1-5-15-13-16(14(4)21-19(15)23)17-9-10-18(26-17)27(24,25)20-11-8-12-22(6-2)7-3;/h9-10,13,20H,5-8,11-12H2,1-4H3,(H,21,23);1H
InChIKeyPBKIUCTVYAHASP-UHFFFAOYSA-N
MW448.05 g/mol
LogP3.41
Rot. Bonds10

About N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride

N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 71082844) has the molecular formula C19H30ClN3O3S2 and a molecular weight of 448.05 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride
PubChem CID71082844
Molecular FormulaC19H30ClN3O3S2
Molecular Weight448.05 g/mol
Exact Mass447.14
IUPAC NameN-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCCN(CC)CC)s2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C19H29N3O3S2.ClH/c1-5-15-13-16(14(4)21-19(15)23)17-9-10-18(26-17)27(24,25)20-11-8-12-22(6-2)7-3;/h9-10,13,20H,5-8,11-12H2,1-4H3,(H,21,23);1H
InChIKeyPBKIUCTVYAHASP-UHFFFAOYSA-N
XLogP3.41
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.05
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride (CID 71082844) is N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride is CCc1cc(-c2ccc(S(=O)(=O)NCCCN(CC)CC)s2)c(C)[nH]c1=O.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is PBKIUCTVYAHASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S2.ClH/c1-5-15-13-16(14(4)21-19(15)23)17-9-10-18(26-17)27(24,25)20-11-8-12-22(6-2)7-3;/h9-10,13,20H,5-8,11-12H2,1-4H3,(H,21,23);1H.
What are the key properties of N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 448.05 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 71082844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).