1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea

C18H21N3OS — CID 24818548

IUPAC1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea
SMILESO=C(CCc1ccccc1)NNC(=S)NCCc1ccccc1
InChIInChI=1S/C18H21N3OS/c22-17(12-11-15-7-3-1-4-8-15)20-21-18(23)19-14-13-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,22)(H2,19,21,23)
InChIKeyNYNANGQPCJQLGM-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.36
Rot. Bonds6

About 1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea

1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea (PubChem CID 24818548) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea
PubChem CID24818548
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea
SMILESO=C(CCc1ccccc1)NNC(=S)NCCc1ccccc1
InChIInChI=1S/C18H21N3OS/c22-17(12-11-15-7-3-1-4-8-15)20-21-18(23)19-14-13-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,22)(H2,19,21,23)
InChIKeyNYNANGQPCJQLGM-UHFFFAOYSA-N
XLogP2.36
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-phenylethyl)-3-(3-phenylpropanoylamino)thiourea?
The IUPAC name of 1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea (CID 24818548) is 1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea.
What is the SMILES notation for 1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea?
The canonical SMILES for 1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea is O=C(CCc1ccccc1)NNC(=S)NCCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea?
The InChIKey is NYNANGQPCJQLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-17(12-11-15-7-3-1-4-8-15)20-21-18(23)19-14-13-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,22)(H2,19,21,23).
What are the key properties of 1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea?
1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea has a molecular weight of 327.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(3-phenylpropanoylamino)thiourea is sourced from PubChem (CID 24818548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).