1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea

C19H23N3O2S — CID 2211915

IUPAC1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea
SMILESCCOc1ccc(CC(=O)NNC(=S)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-2-24-17-10-8-16(9-11-17)14-18(23)21-22-19(25)20-13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyRWKMBYURICOFQS-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.37
Rot. Bonds7

About 1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea

1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea (PubChem CID 2211915) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea
PubChem CID2211915
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea
SMILESCCOc1ccc(CC(=O)NNC(=S)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-2-24-17-10-8-16(9-11-17)14-18(23)21-22-19(25)20-13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyRWKMBYURICOFQS-UHFFFAOYSA-N
XLogP2.37
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea (CID 2211915) is 1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea is CCOc1ccc(CC(=O)NNC(=S)NCCc2ccccc2)cc1.
What is the InChIKey of 1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea?
The InChIKey is RWKMBYURICOFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-2-24-17-10-8-16(9-11-17)14-18(23)21-22-19(25)20-13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,23)(H2,20,22,25).
What are the key properties of 1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea?
1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea has a molecular weight of 357.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethoxyphenyl)acetyl]amino]-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 2211915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).