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

C17H14ClN3O2S2 — CID 16815303

IUPAC2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C17H14ClN3O2S2/c1-23-13-6-2-11(3-7-13)16-20-21-17(25-16)19-15(22)10-24-14-8-4-12(18)5-9-14/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyNOWJXOXAQBDXRX-UHFFFAOYSA-N
MW391.91 g/mol
LogP4.60
Rot. Bonds6

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

2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 16815303) has the molecular formula C17H14ClN3O2S2 and a molecular weight of 391.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID16815303
Molecular FormulaC17H14ClN3O2S2
Molecular Weight391.91 g/mol
Exact Mass391.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C17H14ClN3O2S2/c1-23-13-6-2-11(3-7-13)16-20-21-17(25-16)19-15(22)10-24-14-8-4-12(18)5-9-14/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyNOWJXOXAQBDXRX-UHFFFAOYSA-N
XLogP4.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 16815303) is 2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is NOWJXOXAQBDXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S2/c1-23-13-6-2-11(3-7-13)16-20-21-17(25-16)19-15(22)10-24-14-8-4-12(18)5-9-14/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 391.91 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 16815303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).