ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate

C17H20N2O4S2 — CID 9283060

IUPACethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate
SMILESCCOC(=O)CSc1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1
InChIInChI=1S/C17H20N2O4S2/c1-3-19(14-8-6-5-7-9-14)25(21,22)15-10-11-16(18-12-15)24-13-17(20)23-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyGLIWTYYIUDDBEN-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.95
Rot. Bonds8

About ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate

ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate (PubChem CID 9283060) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate
PubChem CID9283060
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Nameethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate
SMILESCCOC(=O)CSc1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1
InChIInChI=1S/C17H20N2O4S2/c1-3-19(14-8-6-5-7-9-14)25(21,22)15-10-11-16(18-12-15)24-13-17(20)23-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyGLIWTYYIUDDBEN-UHFFFAOYSA-N
XLogP2.95
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]sulfanylacetate
CID 26471860
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide
CID 24571736
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide
CID 9107044
N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 30028161
6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4816070
2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
CID 122060688
1-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]piperidine-4-carboxamide
CID 4816078
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 18775229
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate?
The IUPAC name of ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate (CID 9283060) is ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate?
The canonical SMILES for ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate is CCOC(=O)CSc1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1.
What is the InChIKey of ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate?
The InChIKey is GLIWTYYIUDDBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-3-19(14-8-6-5-7-9-14)25(21,22)15-10-11-16(18-12-15)24-13-17(20)23-4-2/h5-12H,3-4,13H2,1-2H3.
What are the key properties of ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate?
ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate has a molecular weight of 380.49 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate is sourced from PubChem (CID 9283060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).