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

C17H13Cl2N3O2S2 — CID 4577086

IUPACN-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C17H13Cl2N3O2S2/c1-24-14-7-6-10(18)8-13(14)20-15(23)9-25-17-21-16(22-26-17)11-4-2-3-5-12(11)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyRXKVDEYEUVMTNN-UHFFFAOYSA-N
MW426.35 g/mol
LogP5.25
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 4577086) has the molecular formula C17H13Cl2N3O2S2 and a molecular weight of 426.35 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID4577086
Molecular FormulaC17H13Cl2N3O2S2
Molecular Weight426.35 g/mol
Exact Mass424.98
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C17H13Cl2N3O2S2/c1-24-14-7-6-10(18)8-13(14)20-15(23)9-25-17-21-16(22-26-17)11-4-2-3-5-12(11)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyRXKVDEYEUVMTNN-UHFFFAOYSA-N
XLogP5.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 4577086) is N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is RXKVDEYEUVMTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S2/c1-24-14-7-6-10(18)8-13(14)20-15(23)9-25-17-21-16(22-26-17)11-4-2-3-5-12(11)19/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 426.35 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 4577086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).