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

C21H21ClN2O6S2 — CID 53024340

IUPAC2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)s3)c2=O)cc(OC)c1
InChIInChI=1S/C21H21ClN2O6S2/c1-12-7-13(2)24(21(26)20(12)32(27,28)19-6-5-17(22)31-19)11-18(25)23-14-8-15(29-3)10-16(9-14)30-4/h5-10H,11H2,1-4H3,(H,23,25)
InChIKeyBTBKSGDSYWOPQA-UHFFFAOYSA-N
MW496.99 g/mol
LogP3.67
Rot. Bonds7

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

2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 53024340) has the molecular formula C21H21ClN2O6S2 and a molecular weight of 496.99 g/mol. Its IUPAC name is 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID53024340
Molecular FormulaC21H21ClN2O6S2
Molecular Weight496.99 g/mol
Exact Mass496.05
IUPAC Name2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)s3)c2=O)cc(OC)c1
InChIInChI=1S/C21H21ClN2O6S2/c1-12-7-13(2)24(21(26)20(12)32(27,28)19-6-5-17(22)31-19)11-18(25)23-14-8-15(29-3)10-16(9-14)30-4/h5-10H,11H2,1-4H3,(H,23,25)
InChIKeyBTBKSGDSYWOPQA-UHFFFAOYSA-N
XLogP3.67
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.99
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 53054739
N-(4-acetylphenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 53054747
N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 53043477
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 42585629
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 53024289
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide
CID 53024277
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53024295
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 42585737
N-(3,5-dimethoxyphenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 27371299
2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53054673
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50928632
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998754

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide (CID 53024340) is 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)s3)c2=O)cc(OC)c1.
What is the InChIKey of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is BTBKSGDSYWOPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O6S2/c1-12-7-13(2)24(21(26)20(12)32(27,28)19-6-5-17(22)31-19)11-18(25)23-14-8-15(29-3)10-16(9-14)30-4/h5-10H,11H2,1-4H3,(H,23,25).
What are the key properties of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide?
2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 496.99 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 53024340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).