1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea

C17H19ClN2O2S — CID 133196943

IUPAC1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea
SMILESCOc1ccc(OCC(C)NC(=S)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-12(11-22-16-9-7-15(21-2)8-10-16)19-17(23)20-14-5-3-13(18)4-6-14/h3-10,12H,11H2,1-2H3,(H2,19,20,23)
InChIKeyHXPOXIAIVWXOEP-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.10
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea

1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea (PubChem CID 133196943) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea
PubChem CID133196943
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea
SMILESCOc1ccc(OCC(C)NC(=S)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-12(11-22-16-9-7-15(21-2)8-10-16)19-17(23)20-14-5-3-13(18)4-6-14/h3-10,12H,11H2,1-2H3,(H2,19,20,23)
InChIKeyHXPOXIAIVWXOEP-UHFFFAOYSA-N
XLogP4.10
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.10
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

1-(4-methoxyphenyl)-3-[(2R)-1-(4-methylphenoxy)propan-2-yl]thiourea
CID 100707948
1-(3-chlorophenyl)-3-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 100579548
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(4-prop-2-enoxyphenyl)thiourea
CID 100580489
1-(4-bromo-3-chlorophenyl)-3-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 100580130
1-(3,4-dimethoxyphenyl)-3-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 100579748
1-[4-(cyanomethyl)phenyl]-3-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 100579870
1-(3,5-dimethylphenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 133196938
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 100580772
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea
CID 100579625
1-(4-methoxyphenyl)-3-[1-(2-methylphenoxy)propan-2-yl]thiourea
CID 47511471
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132651656
ethyl 2-chloro-5-[[(2S)-1-(4-methoxyphenoxy)propan-2-yl]carbamothioylamino]benzoate
CID 100580396

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea (CID 133196943) is 1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea is COc1ccc(OCC(C)NC(=S)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea?
The InChIKey is HXPOXIAIVWXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-12(11-22-16-9-7-15(21-2)8-10-16)19-17(23)20-14-5-3-13(18)4-6-14/h3-10,12H,11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea?
1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea has a molecular weight of 350.87 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea is sourced from PubChem (CID 133196943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).