1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea

C19H23N3O2S — CID 3303473

IUPAC1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea
SMILESCc1cc(OCC(=O)NNC(=S)Nc2ccccc2)ccc1C(C)C
InChIInChI=1S/C19H23N3O2S/c1-13(2)17-10-9-16(11-14(17)3)24-12-18(23)21-22-19(25)20-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,21,23)(H2,20,22,25)
InChIKeyOYDSOTKYQUAGTB-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.52
Rot. Bonds5

About 1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea

1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea (PubChem CID 3303473) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea
PubChem CID3303473
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea
SMILESCc1cc(OCC(=O)NNC(=S)Nc2ccccc2)ccc1C(C)C
InChIInChI=1S/C19H23N3O2S/c1-13(2)17-10-9-16(11-14(17)3)24-12-18(23)21-22-19(25)20-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,21,23)(H2,20,22,25)
InChIKeyOYDSOTKYQUAGTB-UHFFFAOYSA-N
XLogP3.52
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)-3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 26825662
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide
CID 3073648
1-[[2-(3-chlorophenoxy)acetyl]amino]-3-phenylthiourea
CID 972409
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide
CID 19188088
N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180400
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 730025
1-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9158071
2-(4-bromo-3-methylphenoxy)-N-[(phenylcarbamoylamino)carbamothioyl]acetamide
CID 4511455
1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea
CID 3490888

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea?
The IUPAC name of 1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea (CID 3303473) is 1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea.
What is the SMILES notation for 1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea?
The canonical SMILES for 1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea is Cc1cc(OCC(=O)NNC(=S)Nc2ccccc2)ccc1C(C)C.
What is the InChIKey of 1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea?
The InChIKey is OYDSOTKYQUAGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13(2)17-10-9-16(11-14(17)3)24-12-18(23)21-22-19(25)20-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,21,23)(H2,20,22,25).
What are the key properties of 1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea?
1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea has a molecular weight of 357.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea is sourced from PubChem (CID 3303473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).