1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea

C21H29N3OS — CID 8656372

IUPAC1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1
InChIInChI=1S/C21H29N3OS/c1-5-16-7-9-17(10-8-16)20(24(3)4)15-22-21(26)23-18-11-13-19(14-12-18)25-6-2/h7-14,20H,5-6,15H2,1-4H3,(H2,22,23,26)/t20-/m0/s1
InChIKeyAAQUGFKSEGBFRJ-FQEVSTJZSA-N
MW371.55 g/mol
LogP4.24
Rot. Bonds8

About 1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea

1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea (PubChem CID 8656372) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
PubChem CID8656372
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1
InChIInChI=1S/C21H29N3OS/c1-5-16-7-9-17(10-8-16)20(24(3)4)15-22-21(26)23-18-11-13-19(14-12-18)25-6-2/h7-14,20H,5-6,15H2,1-4H3,(H2,22,23,26)/t20-/m0/s1
InChIKeyAAQUGFKSEGBFRJ-FQEVSTJZSA-N
XLogP4.24
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)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

1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea
CID 7943967
1-[4-(difluoromethoxy)phenyl]-3-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiourea
CID 8656417
1-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]thiourea
CID 21008720
1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8658729
1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea
CID 40516457
1-[2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea
CID 3606263
1-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-nitrophenyl)thiourea
CID 8656435
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8681969
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615001
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 7192210
1-[(4-ethoxyphenyl)methyl]-3-(4-ethylphenyl)-1-methylthiourea
CID 8680251
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea (CID 8656372) is 1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea is CCOc1ccc(NC(=S)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea?
The InChIKey is AAQUGFKSEGBFRJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-5-16-7-9-17(10-8-16)20(24(3)4)15-22-21(26)23-18-11-13-19(14-12-18)25-6-2/h7-14,20H,5-6,15H2,1-4H3,(H2,22,23,26)/t20-/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea?
1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea has a molecular weight of 371.55 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea is sourced from PubChem (CID 8656372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).