[(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium

C22H32N3OS+ — CID 8655016

IUPAC[(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium
SMILESCCc1cccc(CC)c1NC(=S)NC[C@@H](c1ccccc1OC)[NH+](C)C
InChIInChI=1S/C22H31N3OS/c1-6-16-11-10-12-17(7-2)21(16)24-22(27)23-15-19(25(3)4)18-13-8-9-14-20(18)26-5/h8-14,19H,6-7,15H2,1-5H3,(H2,23,24,27)/p+1/t19-/m0/s1
InChIKeyOUKYLADVCVHOFW-IBGZPJMESA-O
MW386.59 g/mol
LogP2.99
Rot. Bonds8

About [(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium

[(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium (PubChem CID 8655016) has the molecular formula C22H32N3OS+ and a molecular weight of 386.59 g/mol. Its IUPAC name is [(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium
PubChem CID8655016
Molecular FormulaC22H32N3OS+
Molecular Weight386.59 g/mol
Exact Mass386.23
IUPAC Name[(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium
SMILESCCc1cccc(CC)c1NC(=S)NC[C@@H](c1ccccc1OC)[NH+](C)C
InChIInChI=1S/C22H31N3OS/c1-6-16-11-10-12-17(7-2)21(16)24-22(27)23-15-19(25(3)4)18-13-8-9-14-20(18)26-5/h8-14,19H,6-7,15H2,1-5H3,(H2,23,24,27)/p+1/t19-/m0/s1
InChIKeyOUKYLADVCVHOFW-IBGZPJMESA-O
XLogP2.99
TPSA37.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium 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

[(1R)-1-(2-methoxyphenyl)-2-[(4-methylphenyl)carbamothioylamino]ethyl]-dimethylazanium
CID 8654931
[(1S)-2-[(3,5-dimethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium
CID 8654993
[(1R)-2-[(2,4-dichlorophenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium
CID 8024713
[(1S)-2-[(3-chloro-4-methylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium
CID 8677642
[(1R)-2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium
CID 8677635
[1-(2,6-diethylanilino)-1-oxopropan-2-yl] 2-methoxybenzoate
CID 3425674
[(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8781553
1-(2,6-diethylphenyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 17263012
1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea
CID 17322071
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
[(1S)-1-(2-chlorophenyl)-2-[(4-ethoxyphenyl)carbamothioylamino]ethyl]-dimethylazanium
CID 8658731
1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea
CID 8684319

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium (CID 8655016) is [(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium is CCc1cccc(CC)c1NC(=S)NC[C@@H](c1ccccc1OC)[NH+](C)C.
What is the InChIKey of [(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium?
The InChIKey is OUKYLADVCVHOFW-IBGZPJMESA-O. The full InChI is InChI=1S/C22H31N3OS/c1-6-16-11-10-12-17(7-2)21(16)24-22(27)23-15-19(25(3)4)18-13-8-9-14-20(18)26-5/h8-14,19H,6-7,15H2,1-5H3,(H2,23,24,27)/p+1/t19-/m0/s1.
What are the key properties of [(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium?
[(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium has a molecular weight of 386.59 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium is sourced from PubChem (CID 8655016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).