1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea

C20H27N3OS — CID 8656989

IUPAC1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea
SMILESCCN(CC)[C@@H](CNC(=S)Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H27N3OS/c1-4-23(5-2)19(16-9-7-6-8-10-16)15-21-20(25)22-17-11-13-18(24-3)14-12-17/h6-14,19H,4-5,15H2,1-3H3,(H2,21,22,25)/t19-/m0/s1
InChIKeyJUVPDHCPEWPAPG-IBGZPJMESA-N
MW357.52 g/mol
LogP4.06
Rot. Bonds8

About 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea

1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea (PubChem CID 8656989) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea
PubChem CID8656989
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea
SMILESCCN(CC)[C@@H](CNC(=S)Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H27N3OS/c1-4-23(5-2)19(16-9-7-6-8-10-16)15-21-20(25)22-17-11-13-18(24-3)14-12-17/h6-14,19H,4-5,15H2,1-3H3,(H2,21,22,25)/t19-/m0/s1
InChIKeyJUVPDHCPEWPAPG-IBGZPJMESA-N
XLogP4.06
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea
CID 7943967
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8681969
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea
CID 8696752
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 8681958
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenylethyl)thiourea
CID 8771362
1-[4-(difluoromethoxy)phenyl]-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiourea
CID 8656322
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
CID 799360
1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8658729
2-[[N-[2-(diethylamino)-2-phenylethyl]-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111010671
1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2R)-2-(dimethylamino)-2-phenylethyl]thiourea
CID 7853719
1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8656372
1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea
CID 7328313

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea (CID 8656989) is 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea is CCN(CC)[C@@H](CNC(=S)Nc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea?
The InChIKey is JUVPDHCPEWPAPG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3OS/c1-4-23(5-2)19(16-9-7-6-8-10-16)15-21-20(25)22-17-11-13-18(24-3)14-12-17/h6-14,19H,4-5,15H2,1-3H3,(H2,21,22,25)/t19-/m0/s1.
What are the key properties of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea?
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea has a molecular weight of 357.52 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 8656989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).