N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C19H19N3O2S3 — CID 55988510

IUPACN-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)Oc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)s1
InChIInChI=1S/C19H19N3O2S3/c1-13(2)24-18-21-22-19(27-18)25-12-17(23)20-15-10-6-7-11-16(15)26-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyOOZZPWSGZYWUSF-UHFFFAOYSA-N
MW417.58 g/mol
LogP5.21
Rot. Bonds8

About N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 55988510) has the molecular formula C19H19N3O2S3 and a molecular weight of 417.58 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID55988510
Molecular FormulaC19H19N3O2S3
Molecular Weight417.58 g/mol
Exact Mass417.06
IUPAC NameN-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)Oc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)s1
InChIInChI=1S/C19H19N3O2S3/c1-13(2)24-18-21-22-19(27-18)25-12-17(23)20-15-10-6-7-11-16(15)26-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyOOZZPWSGZYWUSF-UHFFFAOYSA-N
XLogP5.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.58
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)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-iodophenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55988505
N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60561112
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 2359401
N-[1-(4-fluorophenyl)ethyl]-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55989818
2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
CID 9379612
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 135764148
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4858269
N-(2-phenylsulfanylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4600275
2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 8934814
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55989687
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18288419

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 55988510) is N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CC(C)Oc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)s1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is OOZZPWSGZYWUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S3/c1-13(2)24-18-21-22-19(27-18)25-12-17(23)20-15-10-6-7-11-16(15)26-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,23).
What are the key properties of N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 417.58 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 55988510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).