2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide

C20H17N3OS — CID 920575

IUPAC2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide
SMILESO=C(NC(=S)Nc1ccccn1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N3OS/c24-19(23-20(25)22-17-13-7-8-14-21-17)18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,18H,(H2,21,22,23,24,25)
InChIKeyOMHKQBYKBJBPHE-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.73
Rot. Bonds4

About 2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide

2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide (PubChem CID 920575) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide
PubChem CID920575
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide
SMILESO=C(NC(=S)Nc1ccccn1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N3OS/c24-19(23-20(25)22-17-13-7-8-14-21-17)18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,18H,(H2,21,22,23,24,25)
InChIKeyOMHKQBYKBJBPHE-UHFFFAOYSA-N
XLogP3.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048122
N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 1224409
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 17115032
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986
N-[(4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048111
2-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 4504563
N-[[4-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]carbamothioyl]propanamide
CID 4634604
N-[(3-bromophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 17252411
methyl 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate
CID 1048113
pyridin-2-ylthiourea
CID 1490491
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151042

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide?
The IUPAC name of 2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide (CID 920575) is 2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide.
What is the SMILES notation for 2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide?
The canonical SMILES for 2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide is O=C(NC(=S)Nc1ccccn1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide?
The InChIKey is OMHKQBYKBJBPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-19(23-20(25)22-17-13-7-8-14-21-17)18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,18H,(H2,21,22,23,24,25).
What are the key properties of 2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide?
2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide is sourced from PubChem (CID 920575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).