2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide

C17H19N3O4S — CID 70275805

IUPAC2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide
SMILESNC(=O)CN1C(O)CN(Cc2ccc(-c3ccccc3)cc2)S1(=O)=O
InChIInChI=1S/C17H19N3O4S/c18-16(21)11-20-17(22)12-19(25(20,23)24)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,17,22H,10-12H2,(H2,18,21)
InChIKeyCIPIRBMSINLLMX-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.52
Rot. Bonds5

About 2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide

2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide (PubChem CID 70275805) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide
PubChem CID70275805
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide
SMILESNC(=O)CN1C(O)CN(Cc2ccc(-c3ccccc3)cc2)S1(=O)=O
InChIInChI=1S/C17H19N3O4S/c18-16(21)11-20-17(22)12-19(25(20,23)24)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,17,22H,10-12H2,(H2,18,21)
InChIKeyCIPIRBMSINLLMX-UHFFFAOYSA-N
XLogP0.52
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide?
The IUPAC name of 2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide (CID 70275805) is 2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide.
What is the SMILES notation for 2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide?
The canonical SMILES for 2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide is NC(=O)CN1C(O)CN(Cc2ccc(-c3ccccc3)cc2)S1(=O)=O.
What is the InChIKey of 2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide?
The InChIKey is CIPIRBMSINLLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c18-16(21)11-20-17(22)12-19(25(20,23)24)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,17,22H,10-12H2,(H2,18,21).
What are the key properties of 2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide?
2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide has a molecular weight of 361.42 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide is sourced from PubChem (CID 70275805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).