N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide

C16H21N3O4S2 — CID 11639567

IUPACN-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCNC(C)=O)s2)c(C)[nH]c1=O
InChIInChI=1S/C16H21N3O4S2/c1-4-12-9-13(10(2)19-16(12)21)14-5-6-15(24-14)25(22,23)18-8-7-17-11(3)20/h5-6,9,18H,4,7-8H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyRUBJMSLXBZYVDF-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.39
Rot. Bonds7

About N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide

N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide (PubChem CID 11639567) has the molecular formula C16H21N3O4S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide
PubChem CID11639567
Molecular FormulaC16H21N3O4S2
Molecular Weight383.50 g/mol
Exact Mass383.10
IUPAC NameN-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCNC(C)=O)s2)c(C)[nH]c1=O
InChIInChI=1S/C16H21N3O4S2/c1-4-12-9-13(10(2)19-16(12)21)14-5-6-15(24-14)25(22,23)18-8-7-17-11(3)20/h5-6,9,18H,4,7-8H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyRUBJMSLXBZYVDF-UHFFFAOYSA-N
XLogP1.39
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.39
H-Bond Donors ≤ 53
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-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide (CID 11639567) is N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide is CCc1cc(-c2ccc(S(=O)(=O)NCCNC(C)=O)s2)c(C)[nH]c1=O.
What is the InChIKey of N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide?
The InChIKey is RUBJMSLXBZYVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S2/c1-4-12-9-13(10(2)19-16(12)21)14-5-6-15(24-14)25(22,23)18-8-7-17-11(3)20/h5-6,9,18H,4,7-8H2,1-3H3,(H,17,20)(H,19,21).
What are the key properties of N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide?
N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide has a molecular weight of 383.50 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 11639567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).