N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide

C17H15ClN4O2S — CID 53153843

IUPACN-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCc1noc(-c2ccc(SCC(=O)Nc3ccc(Cl)cc3C)nc2)n1
InChIInChI=1S/C17H15ClN4O2S/c1-10-7-13(18)4-5-14(10)21-15(23)9-25-16-6-3-12(8-19-16)17-20-11(2)22-24-17/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeyGPAYVEXTLZMPSI-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.13
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide

N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 53153843) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID53153843
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCc1noc(-c2ccc(SCC(=O)Nc3ccc(Cl)cc3C)nc2)n1
InChIInChI=1S/C17H15ClN4O2S/c1-10-7-13(18)4-5-14(10)21-15(23)9-25-16-6-3-12(8-19-16)17-20-11(2)22-24-17/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeyGPAYVEXTLZMPSI-UHFFFAOYSA-N
XLogP4.13
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide 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-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153833
N-(2,4-dichlorophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153883
2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 95098183
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
CID 112815581
N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153937
2-(4-chlorophenyl)sulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30333702
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
CID 2455927
N-[2-(4-chlorophenyl)ethyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53179105
2-(5-bromo-2-methylphenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 1180161
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
CID 3517202
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 112815585
N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide
CID 84584328

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (CID 53153843) is N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is Cc1noc(-c2ccc(SCC(=O)Nc3ccc(Cl)cc3C)nc2)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is GPAYVEXTLZMPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-10-7-13(18)4-5-14(10)21-15(23)9-25-16-6-3-12(8-19-16)17-20-11(2)22-24-17/h3-8H,9H2,1-2H3,(H,21,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 374.85 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 53153843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).