3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea

C20H33N3OS — CID 3624193

IUPAC3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea
SMILESCCc1ccccc1NC(=S)N(CCOC)C1CCN(C(C)C)CC1
InChIInChI=1S/C20H33N3OS/c1-5-17-8-6-7-9-19(17)21-20(25)23(14-15-24-4)18-10-12-22(13-11-18)16(2)3/h6-9,16,18H,5,10-15H2,1-4H3,(H,21,25)
InChIKeyNCLCSAMRDDSHIA-UHFFFAOYSA-N
MW363.57 g/mol
LogP3.77
Rot. Bonds7

About 3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea

3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea (PubChem CID 3624193) has the molecular formula C20H33N3OS and a molecular weight of 363.57 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea
PubChem CID3624193
Molecular FormulaC20H33N3OS
Molecular Weight363.57 g/mol
Exact Mass363.23
IUPAC Name3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea
SMILESCCc1ccccc1NC(=S)N(CCOC)C1CCN(C(C)C)CC1
InChIInChI=1S/C20H33N3OS/c1-5-17-8-6-7-9-19(17)21-20(25)23(14-15-24-4)18-10-12-22(13-11-18)16(2)3/h6-9,16,18H,5,10-15H2,1-4H3,(H,21,25)
InChIKeyNCLCSAMRDDSHIA-UHFFFAOYSA-N
XLogP3.77
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea
CID 24761473
1-cyclohexyl-3-(2-ethylphenyl)-1-(1-thiophen-2-ylethyl)thiourea
CID 4090830
N-[2-(methoxymethyl)phenyl]-1-propan-2-ylpiperidin-4-amine
CID 43677869
2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 8560831
ethyl 4-[(3,5-dimethylphenyl)carbamothioyl-(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 46372350
ethyl 4-[2-(dimethylamino)ethyl-[(2-methylphenyl)carbamothioyl]amino]piperidine-1-carboxylate
CID 12005256
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 131939573
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61453286
1-propan-2-yl-N-(2-propylphenyl)piperidin-4-amine
CID 43687285
3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
CID 113117158

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea?
The IUPAC name of 3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea (CID 3624193) is 3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea.
What is the SMILES notation for 3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea?
The canonical SMILES for 3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea is CCc1ccccc1NC(=S)N(CCOC)C1CCN(C(C)C)CC1.
What is the InChIKey of 3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea?
The InChIKey is NCLCSAMRDDSHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3OS/c1-5-17-8-6-7-9-19(17)21-20(25)23(14-15-24-4)18-10-12-22(13-11-18)16(2)3/h6-9,16,18H,5,10-15H2,1-4H3,(H,21,25).
What are the key properties of 3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea?
3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea has a molecular weight of 363.57 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea is sourced from PubChem (CID 3624193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).