N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

C16H23N3O3S2 — CID 58808641

IUPACN-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCN(C)C)s2)c(C)[nH]c1=O
InChIInChI=1S/C16H23N3O3S2/c1-5-12-10-13(11(2)18-16(12)20)14-6-7-15(23-14)24(21,22)17-8-9-19(3)4/h6-7,10,17H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyKWKOVBJIYSADKI-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.81
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide (PubChem CID 58808641) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
PubChem CID58808641
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCN(C)C)s2)c(C)[nH]c1=O
InChIInChI=1S/C16H23N3O3S2/c1-5-12-10-13(11(2)18-16(12)20)14-6-7-15(23-14)24(21,22)17-8-9-19(3)4/h6-7,10,17H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyKWKOVBJIYSADKI-UHFFFAOYSA-N
XLogP1.81
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide (CID 58808641) is N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)NCCN(C)C)s2)c(C)[nH]c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The InChIKey is KWKOVBJIYSADKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-5-12-10-13(11(2)18-16(12)20)14-6-7-15(23-14)24(21,22)17-8-9-19(3)4/h6-7,10,17H,5,8-9H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide has a molecular weight of 369.51 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 58808641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).