2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide

C17H16N4O3S3 — CID 2270550

IUPAC2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide
SMILESCS(=O)(=O)Nc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C17H16N4O3S3/c1-27(23,24)20-16-18-19-17(26-16)25-12-15(22)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,18,20)
InChIKeyAUYFWCLRHWMSGH-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.37
Rot. Bonds7

About 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide

2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide (PubChem CID 2270550) has the molecular formula C17H16N4O3S3 and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide
PubChem CID2270550
Molecular FormulaC17H16N4O3S3
Molecular Weight420.54 g/mol
Exact Mass420.04
IUPAC Name2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide
SMILESCS(=O)(=O)Nc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C17H16N4O3S3/c1-27(23,24)20-16-18-19-17(26-16)25-12-15(22)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,18,20)
InChIKeyAUYFWCLRHWMSGH-UHFFFAOYSA-N
XLogP3.37
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide?
The IUPAC name of 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide (CID 2270550) is 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide.
What is the SMILES notation for 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide?
The canonical SMILES for 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide is CS(=O)(=O)Nc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide?
The InChIKey is AUYFWCLRHWMSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S3/c1-27(23,24)20-16-18-19-17(26-16)25-12-15(22)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,18,20).
What are the key properties of 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide?
2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide has a molecular weight of 420.54 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide is sourced from PubChem (CID 2270550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).