ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate

C21H25N3O7S — CID 55600393

IUPACethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nc1C
InChIInChI=1S/C21H25N3O7S/c1-4-31-21(26)16-6-7-17(22-14(16)2)20(25)23-18-13-15(5-8-19(18)29-3)32(27,28)24-9-11-30-12-10-24/h5-8,13H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyQUARFXVEKQNTLP-UHFFFAOYSA-N
MW463.51 g/mol
LogP1.85
Rot. Bonds7

About ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55600393) has the molecular formula C21H25N3O7S and a molecular weight of 463.51 g/mol. Its IUPAC name is ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55600393
Molecular FormulaC21H25N3O7S
Molecular Weight463.51 g/mol
Exact Mass463.14
IUPAC Nameethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nc1C
InChIInChI=1S/C21H25N3O7S/c1-4-31-21(26)16-6-7-17(22-14(16)2)20(25)23-18-13-15(5-8-19(18)29-3)32(27,28)24-9-11-30-12-10-24/h5-8,13H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyQUARFXVEKQNTLP-UHFFFAOYSA-N
XLogP1.85
TPSA124.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
CID 55600474
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600436
ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 46764473
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
4-(ethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 24636024
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 26470174
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3435675
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide
CID 8746910

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate (CID 55600393) is ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nc1C.
What is the InChIKey of ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is QUARFXVEKQNTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O7S/c1-4-31-21(26)16-6-7-17(22-14(16)2)20(25)23-18-13-15(5-8-19(18)29-3)32(27,28)24-9-11-30-12-10-24/h5-8,13H,4,9-12H2,1-3H3,(H,23,25).
What are the key properties of ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 463.51 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55600393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).