N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

C18H16ClN3OS2 — CID 4148860

IUPACN-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nsc(SCC(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3OS2/c1-12-6-2-4-8-14(12)17-21-18(25-22-17)24-11-16(23)20-10-13-7-3-5-9-15(13)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyMSQSWIIUBOKPBL-UHFFFAOYSA-N
MW389.93 g/mol
LogP4.58
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 4148860) has the molecular formula C18H16ClN3OS2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID4148860
Molecular FormulaC18H16ClN3OS2
Molecular Weight389.93 g/mol
Exact Mass389.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nsc(SCC(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3OS2/c1-12-6-2-4-8-14(12)17-21-18(25-22-17)24-11-16(23)20-10-13-7-3-5-9-15(13)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyMSQSWIIUBOKPBL-UHFFFAOYSA-N
XLogP4.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((3-(2-Chlorophenyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 3239760
2-{[5-(2-Chlorophenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(3-phenylpropyl)acetamide
CID 16030222
2-{[5-(2-Chlorophenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(2-phenylethyl)acetamide
CID 16030189
N-(4-fluorobenzyl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 4571571
N-(4-fluorobenzyl)-2-((3-(p-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 7119350
2-[[3-(2-Chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 4148862
N-phenethyl-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 4571575
N-cyclohexyl-2-((3-(o-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 6624174
1-(Piperidin-1-yl)-2-((3-(o-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone
CID 7119372
N-cyclopentyl-2-((3-(o-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 7119407
N-benzyl-2-((3-(o-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 7119408
N-(4-butylphenyl)-2-((3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 7119420

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 4148860) is N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is Cc1ccccc1-c1nsc(SCC(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is MSQSWIIUBOKPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS2/c1-12-6-2-4-8-14(12)17-21-18(25-22-17)24-11-16(23)20-10-13-7-3-5-9-15(13)19/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 389.93 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 4148860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).