N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

C15H15ClN2OS — CID 2121854

IUPACN-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C15H15ClN2OS/c1-10-3-4-11(2)13(7-10)20-9-15(19)18-14-6-5-12(16)8-17-14/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyOCAAZULHJUBHLQ-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.08
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 2121854) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID2121854
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C15H15ClN2OS/c1-10-3-4-11(2)13(7-10)20-9-15(19)18-14-6-5-12(16)8-17-14/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyOCAAZULHJUBHLQ-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
N-(5-chloro-2-pyridinyl)-2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786877
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64523902
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide
CID 47126211
N-(5-chloro-2-pyridinyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2460477
N-(5-chloro-2-pyridinyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2099727
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 19298990
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 22775886

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 2121854) is N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is Cc1ccc(C)c(SCC(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is OCAAZULHJUBHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-10-3-4-11(2)13(7-10)20-9-15(19)18-14-6-5-12(16)8-17-14/h3-8H,9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 306.82 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2121854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).