ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate

C20H22ClN3O6S — CID 55600436

IUPACethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nc1C
InChIInChI=1S/C20H22ClN3O6S/c1-3-30-20(26)15-5-7-17(22-13(15)2)19(25)23-14-4-6-16(21)18(12-14)31(27,28)24-8-10-29-11-9-24/h4-7,12H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyLAFYVPUSOMAHSP-UHFFFAOYSA-N
MW467.93 g/mol
LogP2.49
Rot. Bonds6

About ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55600436) has the molecular formula C20H22ClN3O6S and a molecular weight of 467.93 g/mol. Its IUPAC name is ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55600436
Molecular FormulaC20H22ClN3O6S
Molecular Weight467.93 g/mol
Exact Mass467.09
IUPAC Nameethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nc1C
InChIInChI=1S/C20H22ClN3O6S/c1-3-30-20(26)15-5-7-17(22-13(15)2)19(25)23-14-4-6-16(21)18(12-14)31(27,28)24-8-10-29-11-9-24/h4-7,12H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyLAFYVPUSOMAHSP-UHFFFAOYSA-N
XLogP2.49
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
CID 55600474
ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600393
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
CID 24505780
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684553
ethyl 6-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631526
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 30270506
ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 46764473
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4054605
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 42963371
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide
CID 55343091
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate (CID 55600436) is ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nc1C.
What is the InChIKey of ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is LAFYVPUSOMAHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O6S/c1-3-30-20(26)15-5-7-17(22-13(15)2)19(25)23-14-4-6-16(21)18(12-14)31(27,28)24-8-10-29-11-9-24/h4-7,12H,3,8-11H2,1-2H3,(H,23,25).
What are the key properties of ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 467.93 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55600436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).