N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C15H14Cl2N2OS — CID 2498579

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2OS/c1-10-4-2-3-5-11(10)8-21-9-14(20)19-15-13(17)6-12(16)7-18-15/h2-7H,8-9H2,1H3,(H,18,19,20)
InChIKeyCDSMRVXPYZEDFO-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.57
Rot. Bonds5

About N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 2498579) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID2498579
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2OS/c1-10-4-2-3-5-11(10)8-21-9-14(20)19-15-13(17)6-12(16)7-18-15/h2-7H,8-9H2,1H3,(H,18,19,20)
InChIKeyCDSMRVXPYZEDFO-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
2-(2-aminopropylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 66218227
N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62770873
2-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-N-pyridin-2-ylacetamide
CID 75446518
2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 66234835
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527877
N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133920
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8527932
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773229

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 2498579) is N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is CDSMRVXPYZEDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-10-4-2-3-5-11(10)8-21-9-14(20)19-15-13(17)6-12(16)7-18-15/h2-7H,8-9H2,1H3,(H,18,19,20).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 341.26 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 2498579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).