1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea

C19H22N2OS — CID 19675250

IUPAC1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
SMILESCC(=O)c1cccc(NC(=S)NC(C)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H22N2OS/c1-12-8-9-18(13(2)10-12)14(3)20-19(23)21-17-7-5-6-16(11-17)15(4)22/h5-11,14H,1-4H3,(H2,20,21,23)
InChIKeyZHVTWIYEBQYHIA-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.55
Rot. Bonds4

About 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea

1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea (PubChem CID 19675250) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
PubChem CID19675250
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
SMILESCC(=O)c1cccc(NC(=S)NC(C)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H22N2OS/c1-12-8-9-18(13(2)10-12)14(3)20-19(23)21-17-7-5-6-16(11-17)15(4)22/h5-11,14H,1-4H3,(H2,20,21,23)
InChIKeyZHVTWIYEBQYHIA-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153652
1-[1-(2,4-dimethylphenyl)ethyl]-3-(3-fluorophenyl)thiourea
CID 19675224
1-[1-(2,4-dimethylphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 17298996
1-[1-(2,4-dimethylphenyl)ethyl]-3-pyridin-4-ylthiourea
CID 133215413
1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 27474756
ethyl 3-[[(1R)-1-(2,5-dimethylphenyl)ethyl]carbamothioylamino]benzoate
CID 100670557
N-[3-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193742
1-(2,6-difluorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]thiourea
CID 100647850
1-(3-acetylphenyl)-3-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]thiourea
CID 27516695
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
1-(3-bromophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)-2-methylpropyl]thiourea
CID 100746464

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea?
The IUPAC name of 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea (CID 19675250) is 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea is CC(=O)c1cccc(NC(=S)NC(C)c2ccc(C)cc2C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea?
The InChIKey is ZHVTWIYEBQYHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-12-8-9-18(13(2)10-12)14(3)20-19(23)21-17-7-5-6-16(11-17)15(4)22/h5-11,14H,1-4H3,(H2,20,21,23).
What are the key properties of 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea?
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea has a molecular weight of 326.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea is sourced from PubChem (CID 19675250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).