1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea

C20H20N2S2 — CID 9111467

IUPAC1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea
SMILESC[C@@H](NC(=S)NCc1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20N2S2/c1-15(22-20(23)21-14-19-8-5-13-24-19)16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H2,21,22,23)/t15-/m1/s1
InChIKeyBSTWVOMIBYMHGR-OAHLLOKOSA-N
MW352.53 g/mol
LogP5.14
Rot. Bonds5

About 1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea

1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea (PubChem CID 9111467) has the molecular formula C20H20N2S2 and a molecular weight of 352.53 g/mol. Its IUPAC name is 1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea
PubChem CID9111467
Molecular FormulaC20H20N2S2
Molecular Weight352.53 g/mol
Exact Mass352.11
IUPAC Name1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea
SMILESC[C@@H](NC(=S)NCc1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20N2S2/c1-15(22-20(23)21-14-19-8-5-13-24-19)16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H2,21,22,23)/t15-/m1/s1
InChIKeyBSTWVOMIBYMHGR-OAHLLOKOSA-N
XLogP5.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.53
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17498277
1-butyl-3-[(1R)-1-(4-phenylphenyl)ethyl]thiourea
CID 7943701
1-[(1S)-1-(4-phenylphenyl)ethyl]-3-propan-2-ylthiourea
CID 8903102
1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675515
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide
CID 146896544
1-(4-phenylphenyl)-2-thiophen-2-ylethanol
CID 65148567
1-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)thiourea
CID 3576078
1-(1-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675516
1-benzyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675014
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea (CID 9111467) is 1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea is C[C@@H](NC(=S)NCc1cccs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea?
The InChIKey is BSTWVOMIBYMHGR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N2S2/c1-15(22-20(23)21-14-19-8-5-13-24-19)16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H2,21,22,23)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea?
1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea has a molecular weight of 352.53 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 9111467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).