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

C19H24ClN3OS — CID 8658729

IUPAC1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NC[C@@H](c2ccccc2Cl)N(C)C)cc1
InChIInChI=1S/C19H24ClN3OS/c1-4-24-15-11-9-14(10-12-15)22-19(25)21-13-18(23(2)3)16-7-5-6-8-17(16)20/h5-12,18H,4,13H2,1-3H3,(H2,21,22,25)/t18-/m0/s1
InChIKeyUCYIEKZMMMEGPI-SFHVURJKSA-N
MW377.94 g/mol
LogP4.33
Rot. Bonds7

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

1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea (PubChem CID 8658729) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is 1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea
PubChem CID8658729
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NC[C@@H](c2ccccc2Cl)N(C)C)cc1
InChIInChI=1S/C19H24ClN3OS/c1-4-24-15-11-9-14(10-12-15)22-19(25)21-13-18(23(2)3)16-7-5-6-8-17(16)20/h5-12,18H,4,13H2,1-3H3,(H2,21,22,25)/t18-/m0/s1
InChIKeyUCYIEKZMMMEGPI-SFHVURJKSA-N
XLogP4.33
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 54.33
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
[(1S)-1-(2-chlorophenyl)-2-[(4-ethoxyphenyl)carbamothioylamino]ethyl]-dimethylazanium
CID 8658731
1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8656372
1-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]thiourea
CID 21008720
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-benzyl-3-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiourea
CID 8727651
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615001
1-(4-ethoxyphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684433
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiourea
CID 8677582
1-(4-butylphenyl)-3-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiourea
CID 8655031
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea?
The IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea (CID 8658729) is 1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea is CCOc1ccc(NC(=S)NC[C@@H](c2ccccc2Cl)N(C)C)cc1.
What is the InChIKey of 1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea?
The InChIKey is UCYIEKZMMMEGPI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24ClN3OS/c1-4-24-15-11-9-14(10-12-15)22-19(25)21-13-18(23(2)3)16-7-5-6-8-17(16)20/h5-12,18H,4,13H2,1-3H3,(H2,21,22,25)/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea?
1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea has a molecular weight of 377.94 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea is sourced from PubChem (CID 8658729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).