2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide

C24H24N2O2S — CID 17151042

IUPAC2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
SMILESCC(C)Oc1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2S/c1-17(2)28-21-16-10-9-15-20(21)25-24(29)26-23(27)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H2,25,26,27,29)
InChIKeyNAGOZCIFRYGLBU-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.12
Rot. Bonds6

About 2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide

2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide (PubChem CID 17151042) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
PubChem CID17151042
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
SMILESCC(C)Oc1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2S/c1-17(2)28-21-16-10-9-15-20(21)25-24(29)26-23(27)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H2,25,26,27,29)
InChIKeyNAGOZCIFRYGLBU-UHFFFAOYSA-N
XLogP5.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.12
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

2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151053
2-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 4504563
1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea
CID 17150868
N-(2-propan-2-yloxyphenyl)benzenecarbothioamide
CID 101432732
N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide
CID 17151100
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
methyl 3-[(2-propan-2-yloxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175730
N-(1-phenylethyl)-2-[(2-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17045880
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
N-[(3,4-dimethoxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 54781270
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1345142
N-[(4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048111

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide (CID 17151042) is 2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide is CC(C)Oc1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The InChIKey is NAGOZCIFRYGLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-17(2)28-21-16-10-9-15-20(21)25-24(29)26-23(27)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H2,25,26,27,29).
What are the key properties of 2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide?
2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide has a molecular weight of 404.54 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 17151042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).