1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea

C19H24N2O2S — CID 100706087

IUPAC1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
SMILESCCOc1ccccc1NC(=S)N[C@@H](C)COc1ccccc1C
InChIInChI=1S/C19H24N2O2S/c1-4-22-18-12-8-6-10-16(18)21-19(24)20-15(3)13-23-17-11-7-5-9-14(17)2/h5-12,15H,4,13H2,1-3H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyZDWXSNDTMACBKH-HNNXBMFYSA-N
MW344.48 g/mol
LogP4.15
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea

1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea (PubChem CID 100706087) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
PubChem CID100706087
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
SMILESCCOc1ccccc1NC(=S)N[C@@H](C)COc1ccccc1C
InChIInChI=1S/C19H24N2O2S/c1-4-22-18-12-8-6-10-16(18)21-19(24)20-15(3)13-23-17-11-7-5-9-14(17)2/h5-12,15H,4,13H2,1-3H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyZDWXSNDTMACBKH-HNNXBMFYSA-N
XLogP4.15
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.15
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-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 99643588
1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
CID 133207092
1-[(2R)-1-(2-methylphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
CID 99643583
1-[(2R)-1-(2-methylphenoxy)propan-2-yl]-3-(3-methyl-2-pyridinyl)thiourea
CID 100707457
1-(4-methoxyphenyl)-3-[1-(2-methylphenoxy)propan-2-yl]thiourea
CID 47511471
1-(3-methoxyphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045491
1-[(2S)-1-(2-methylphenoxy)propan-2-yl]-3-(5-methyl-2-pyridinyl)thiourea
CID 100707477
1-(3-chlorophenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045497
ethyl 3-[1-(2-methylphenoxy)propan-2-ylcarbamothioylamino]benzoate
CID 133154711
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]thiourea
CID 100751227
1-(4-bromo-3-chlorophenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 100706550
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512967

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea (CID 100706087) is 1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea is CCOc1ccccc1NC(=S)N[C@@H](C)COc1ccccc1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea?
The InChIKey is ZDWXSNDTMACBKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-22-18-12-8-6-10-16(18)21-19(24)20-15(3)13-23-17-11-7-5-9-14(17)2/h5-12,15H,4,13H2,1-3H3,(H2,20,21,24)/t15-/m0/s1.
What are the key properties of 1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea?
1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea has a molecular weight of 344.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea is sourced from PubChem (CID 100706087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).