1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea

C20H26N2O2S — CID 7775056

IUPAC1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
SMILESCCOc1ccc([C@H](C)NC(=S)Nc2ccccc2C)cc1OCC
InChIInChI=1S/C20H26N2O2S/c1-5-23-18-12-11-16(13-19(18)24-6-2)15(4)21-20(25)22-17-10-8-7-9-14(17)3/h7-13,15H,5-6H2,1-4H3,(H2,21,22,25)/t15-/m0/s1
InChIKeyFBCBABJKDINIMC-HNNXBMFYSA-N
MW358.51 g/mol
LogP4.84
Rot. Bonds7

About 1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea

1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea (PubChem CID 7775056) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
PubChem CID7775056
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
SMILESCCOc1ccc([C@H](C)NC(=S)Nc2ccccc2C)cc1OCC
InChIInChI=1S/C20H26N2O2S/c1-5-23-18-12-11-16(13-19(18)24-6-2)15(4)21-20(25)22-17-10-8-7-9-14(17)3/h7-13,15H,5-6H2,1-4H3,(H2,21,22,25)/t15-/m0/s1
InChIKeyFBCBABJKDINIMC-HNNXBMFYSA-N
XLogP4.84
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[1-(3,4-diethoxyphenyl)ethylcarbamothioylamino]-4-methylbenzoate
CID 133216979
1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100742977
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 133216947
1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675461
1-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(3-ethoxyphenyl)thiourea
CID 100743405
1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
CID 133207092
1-(3-bromophenyl)-3-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiourea
CID 92524501
1-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(5-methyl-2-pyridinyl)thiourea
CID 100743746
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512967
1-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)thiourea
CID 100743053
1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675375
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 133204349

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea (CID 7775056) is 1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea is CCOc1ccc([C@H](C)NC(=S)Nc2ccccc2C)cc1OCC.
What is the InChIKey of 1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea?
The InChIKey is FBCBABJKDINIMC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-5-23-18-12-11-16(13-19(18)24-6-2)15(4)21-20(25)22-17-10-8-7-9-14(17)3/h7-13,15H,5-6H2,1-4H3,(H2,21,22,25)/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea?
1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea has a molecular weight of 358.51 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 7775056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).