1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea

C22H18N2O2S — CID 19648824

IUPAC1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea
SMILESCC(=O)c1cccc(NC(=S)Nc2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C22H18N2O2S/c1-15(25)17-10-7-11-18(14-17)23-22(27)24-20-13-6-5-12-19(20)21(26)16-8-3-2-4-9-16/h2-14H,1H3,(H2,23,24,27)
InChIKeyMWNFTODKLVYBHV-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.93
Rot. Bonds5

About 1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea

1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea (PubChem CID 19648824) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea
PubChem CID19648824
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea
SMILESCC(=O)c1cccc(NC(=S)Nc2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C22H18N2O2S/c1-15(25)17-10-7-11-18(14-17)23-22(27)24-20-13-6-5-12-19(20)21(26)16-8-3-2-4-9-16/h2-14H,1H3,(H2,23,24,27)
InChIKeyMWNFTODKLVYBHV-UHFFFAOYSA-N
XLogP4.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-benzoylphenyl)-3-(3-methoxyphenyl)thiourea
CID 19648798
1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea
CID 1235704
1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea
CID 19648807
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523
2-[(3-chlorophenyl)carbamothioylamino]benzoic acid
CID 91687128
1-(2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17255689
3-[(3-acetylphenyl)carbamothioylamino]-4-methoxy-N-phenylbenzamide
CID 54111046
1-(3-acetylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53489029
1-(3-acetylphenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 25237665
1-(2-benzoylphenyl)-3-(4-bromo-2-chlorophenyl)thiourea
CID 19648826
N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1346261
N,N-dimethyl-2-(phenylcarbamothioylamino)benzamide
CID 4942406

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea?
The IUPAC name of 1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea (CID 19648824) is 1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea is CC(=O)c1cccc(NC(=S)Nc2ccccc2C(=O)c2ccccc2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea?
The InChIKey is MWNFTODKLVYBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15(25)17-10-7-11-18(14-17)23-22(27)24-20-13-6-5-12-19(20)21(26)16-8-3-2-4-9-16/h2-14H,1H3,(H2,23,24,27).
What are the key properties of 1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea?
1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea has a molecular weight of 374.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(2-benzoylphenyl)thiourea is sourced from PubChem (CID 19648824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).