1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea

C18H21N3O3S — CID 3659337

IUPAC1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea
SMILESCCc1ccc(OCC(=O)NNC(=S)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-3-13-4-8-16(9-5-13)24-12-17(22)20-21-18(25)19-14-6-10-15(23-2)11-7-14/h4-11H,3,12H2,1-2H3,(H,20,22)(H2,19,21,25)
InChIKeyXYJPSQBSDYOROO-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.65
Rot. Bonds6

About 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea

1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea (PubChem CID 3659337) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea
PubChem CID3659337
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea
SMILESCCc1ccc(OCC(=O)NNC(=S)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-3-13-4-8-16(9-5-13)24-12-17(22)20-21-18(25)19-14-6-10-15(23-2)11-7-14/h4-11H,3,12H2,1-2H3,(H,20,22)(H2,19,21,25)
InChIKeyXYJPSQBSDYOROO-UHFFFAOYSA-N
XLogP2.65
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-ethylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]thiourea
CID 7988129
1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(4-ethylphenyl)thiourea
CID 8616653
methyl 4-[2-[2-[(4-methylphenyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4191885
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
CID 922748
N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide
CID 3073648
2-(4-ethylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5241566
1-(4-ethoxyphenyl)-3-[[3-[2-[(4-ethoxyphenyl)carbamothioyl]hydrazinyl]-3-oxopropanoyl]amino]thiourea
CID 2831126
1-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9158071
1-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-(4-ethylphenyl)thiourea
CID 7988123
1-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea
CID 5157569
1-(4-fluorophenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 968555
1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
CID 5174149

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea (CID 3659337) is 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea is CCc1ccc(OCC(=O)NNC(=S)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea?
The InChIKey is XYJPSQBSDYOROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-3-13-4-8-16(9-5-13)24-12-17(22)20-21-18(25)19-14-6-10-15(23-2)11-7-14/h4-11H,3,12H2,1-2H3,(H,20,22)(H2,19,21,25).
What are the key properties of 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea?
1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea has a molecular weight of 359.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 3659337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).