1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea

C19H30N4O4S2 — CID 4639272

IUPAC1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea
SMILESCOCCNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C19H30N4O4S2/c1-26-12-7-20-19(28)21-17-15-16(29(24,25)23-10-13-27-14-11-23)5-6-18(17)22-8-3-2-4-9-22/h5-6,15H,2-4,7-14H2,1H3,(H2,20,21,28)
InChIKeyQXCXXQQJEPRBCG-UHFFFAOYSA-N
MW442.61 g/mol
LogP1.63
Rot. Bonds7

About 1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea

1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea (PubChem CID 4639272) has the molecular formula C19H30N4O4S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea
PubChem CID4639272
Molecular FormulaC19H30N4O4S2
Molecular Weight442.61 g/mol
Exact Mass442.17
IUPAC Name1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea
SMILESCOCCNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C19H30N4O4S2/c1-26-12-7-20-19(28)21-17-15-16(29(24,25)23-10-13-27-14-11-23)5-6-18(17)22-8-3-2-4-9-22/h5-6,15H,2-4,7-14H2,1H3,(H2,20,21,28)
InChIKeyQXCXXQQJEPRBCG-UHFFFAOYSA-N
XLogP1.63
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)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

2-(Morpholin-4-yl)-5-(piperidine-1-sulfonyl)aniline
CID 3870903
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)aniline
CID 3585374
5-(Morpholine-4-sulfonyl)-2-(piperidin-1-yl)aniline
CID 4461797
1-[3-[(2-Fluorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 3499709
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
1-[2-(Diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
CID 5075583
3-amino-4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 145955557
N-(4-{[4-(4-morpholinylcarbonyl)-1-piperazinyl]sulfonyl}phenyl)acetamide
CID 1298827
2-(hydroxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-1-carbothioamide
CID 3383643
1-butyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol
CID 3527584
1-(3-Butoxypropyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 3531117
1-[5-[(4-Chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 3578672

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea (CID 4639272) is 1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea is COCCNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea?
The InChIKey is QXCXXQQJEPRBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S2/c1-26-12-7-20-19(28)21-17-15-16(29(24,25)23-10-13-27-14-11-23)5-6-18(17)22-8-3-2-4-9-22/h5-6,15H,2-4,7-14H2,1H3,(H2,20,21,28).
What are the key properties of 1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea?
1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea has a molecular weight of 442.61 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea is sourced from PubChem (CID 4639272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).