2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide

C21H21ClN2O5S2 — CID 27371278

IUPAC2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)s3)c2=O)cc1
InChIInChI=1S/C21H21ClN2O5S2/c1-4-29-16-7-5-15(6-8-16)23-18(25)12-24-14(3)11-13(2)20(21(24)26)31(27,28)19-10-9-17(22)30-19/h5-11H,4,12H2,1-3H3,(H,23,25)
InChIKeyONXZBCOHLBLTOC-UHFFFAOYSA-N
MW481.00 g/mol
LogP4.05
Rot. Bonds7

About 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide

2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 27371278) has the molecular formula C21H21ClN2O5S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide
PubChem CID27371278
Molecular FormulaC21H21ClN2O5S2
Molecular Weight481.00 g/mol
Exact Mass480.06
IUPAC Name2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)s3)c2=O)cc1
InChIInChI=1S/C21H21ClN2O5S2/c1-4-29-16-7-5-15(6-8-16)23-18(25)12-24-14(3)11-13(2)20(21(24)26)31(27,28)19-10-9-17(22)30-19/h5-11H,4,12H2,1-3H3,(H,23,25)
InChIKeyONXZBCOHLBLTOC-UHFFFAOYSA-N
XLogP4.05
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide (CID 27371278) is 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)s3)c2=O)cc1.
What is the InChIKey of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is ONXZBCOHLBLTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5S2/c1-4-29-16-7-5-15(6-8-16)23-18(25)12-24-14(3)11-13(2)20(21(24)26)31(27,28)19-10-9-17(22)30-19/h5-11H,4,12H2,1-3H3,(H,23,25).
What are the key properties of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide?
2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 481.00 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 27371278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).