1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea

C20H26N2S — CID 17284156

IUPAC1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCC(C)c1ccc(C(C)NC(=S)NCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2S/c1-15(2)18-9-11-19(12-10-18)16(3)22-20(23)21-14-13-17-7-5-4-6-8-17/h4-12,15-16H,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyGSIRNAPMRQZBCW-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.58
Rot. Bonds6

About 1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea

1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (PubChem CID 17284156) has the molecular formula C20H26N2S and a molecular weight of 326.51 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
PubChem CID17284156
Molecular FormulaC20H26N2S
Molecular Weight326.51 g/mol
Exact Mass326.18
IUPAC Name1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCC(C)c1ccc(C(C)NC(=S)NCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2S/c1-15(2)18-9-11-19(12-10-18)16(3)22-20(23)21-14-13-17-7-5-4-6-8-17/h4-12,15-16H,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyGSIRNAPMRQZBCW-UHFFFAOYSA-N
XLogP4.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675515
1-(1-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675516
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675508
1-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 19462733
1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea
CID 7941515
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea
CID 8656313
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
1-butyl-3-[(1R)-1-(4-phenylphenyl)ethyl]thiourea
CID 7943701
1-[2-(4-chlorophenyl)ethyl]-3-(1-phenylpropyl)thiourea
CID 5000601
1-benzyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675014
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The IUPAC name of 1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (CID 17284156) is 1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea is CC(C)c1ccc(C(C)NC(=S)NCCc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The InChIKey is GSIRNAPMRQZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2S/c1-15(2)18-9-11-19(12-10-18)16(3)22-20(23)21-14-13-17-7-5-4-6-8-17/h4-12,15-16H,13-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea has a molecular weight of 326.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea is sourced from PubChem (CID 17284156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).