N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide

C15H15ClN2O3S — CID 676241

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2ccccn2)c(OC)cc1Cl
InChIInChI=1S/C15H15ClN2O3S/c1-20-12-8-11(13(21-2)7-10(12)16)18-14(19)9-22-15-5-3-4-6-17-15/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyQRDIAWAICKWZNN-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.48
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 676241) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID676241
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2ccccn2)c(OC)cc1Cl
InChIInChI=1S/C15H15ClN2O3S/c1-20-12-8-11(13(21-2)7-10(12)16)18-14(19)9-22-15-5-3-4-6-17-15/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyQRDIAWAICKWZNN-UHFFFAOYSA-N
XLogP3.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 659569
N-(5-chloro-2-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2120529
N-(5-chloro-2-methoxyphenyl)-2-(pyridin-2-ylsulfanyl)acetamide
CID 670591
N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 882137
N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 687273
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 16301277
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530304
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 24634213
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 40955370
(2S)-2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 41891299
(2R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 41891305
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 42973016

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 676241) is N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is COc1cc(NC(=O)CSc2ccccn2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is QRDIAWAICKWZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-20-12-8-11(13(21-2)7-10(12)16)18-14(19)9-22-15-5-3-4-6-17-15/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 338.82 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 676241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).