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

C19H25N3OS — CID 7943967

IUPAC1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NC[C@@H](c2ccccc2)N(C)C)cc1
InChIInChI=1S/C19H25N3OS/c1-4-23-17-12-10-16(11-13-17)21-19(24)20-14-18(22(2)3)15-8-6-5-7-9-15/h5-13,18H,4,14H2,1-3H3,(H2,20,21,24)/t18-/m0/s1
InChIKeyLUYRJMGGPRONEA-SFHVURJKSA-N
MW343.50 g/mol
LogP3.67
Rot. Bonds7

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

1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea (PubChem CID 7943967) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea
PubChem CID7943967
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NC[C@@H](c2ccccc2)N(C)C)cc1
InChIInChI=1S/C19H25N3OS/c1-4-23-17-12-10-16(11-13-17)21-19(24)20-14-18(22(2)3)15-8-6-5-7-9-15/h5-13,18H,4,14H2,1-3H3,(H2,20,21,24)/t18-/m0/s1
InChIKeyLUYRJMGGPRONEA-SFHVURJKSA-N
XLogP3.67
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.67
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-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8656372
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-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]thiourea
CID 21008720
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea
CID 8656989
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615001
1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2R)-2-(dimethylamino)-2-phenylethyl]thiourea
CID 7853719
1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea
CID 6958648
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8681969
1-(4-ethoxyphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684433
1-[4-(difluoromethoxy)phenyl]-3-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiourea
CID 8656417

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea (CID 7943967) is 1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea is CCOc1ccc(NC(=S)NC[C@@H](c2ccccc2)N(C)C)cc1.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea?
The InChIKey is LUYRJMGGPRONEA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-4-23-17-12-10-16(11-13-17)21-19(24)20-14-18(22(2)3)15-8-6-5-7-9-15/h5-13,18H,4,14H2,1-3H3,(H2,20,21,24)/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea?
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea has a molecular weight of 343.50 g/mol, XLogP of 3.67, 7 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-phenylethyl]-3-(4-ethoxyphenyl)thiourea is sourced from PubChem (CID 7943967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).