ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate

C17H18N2O4S — CID 1486211

IUPACethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate
SMILESCCOC(=O)CSc1ccc(C(=O)Nc2ccc(OC)cc2)cn1
InChIInChI=1S/C17H18N2O4S/c1-3-23-16(20)11-24-15-9-4-12(10-18-15)17(21)19-13-5-7-14(22-2)8-6-13/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyYXPKHOURWYJPRA-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.00
Rot. Bonds7

About ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate

ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate (PubChem CID 1486211) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate
PubChem CID1486211
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Nameethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate
SMILESCCOC(=O)CSc1ccc(C(=O)Nc2ccc(OC)cc2)cn1
InChIInChI=1S/C17H18N2O4S/c1-3-23-16(20)11-24-15-9-4-12(10-18-15)17(21)19-13-5-7-14(22-2)8-6-13/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyYXPKHOURWYJPRA-UHFFFAOYSA-N
XLogP3.00
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 2083057
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2093193
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2433772
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2438676
2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
Methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate
CID 2764383
2-[(2,5-Dimethoxy-phenylcarbamoyl)-methylsulfanyl]-nicotinic acid
CID 652069
2-{[4-(benzyloxy)phenyl]amino}-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 1258664
Acetaminophen nicotinate
CID 3237989
2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10024231
2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10453929

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate?
The IUPAC name of ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate (CID 1486211) is ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate?
The canonical SMILES for ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate is CCOC(=O)CSc1ccc(C(=O)Nc2ccc(OC)cc2)cn1.
What is the InChIKey of ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate?
The InChIKey is YXPKHOURWYJPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-23-16(20)11-24-15-9-4-12(10-18-15)17(21)19-13-5-7-14(22-2)8-6-13/h4-10H,3,11H2,1-2H3,(H,19,21).
What are the key properties of ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate?
ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate has a molecular weight of 346.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetate is sourced from PubChem (CID 1486211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).