1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea

C19H23N3O3S2 — CID 2212017

IUPAC1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
SMILESO=S(=O)(c1ccc(NC(=S)NCCc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C19H23N3O3S2/c23-27(24,22-12-14-25-15-13-22)18-8-6-17(7-9-18)21-19(26)20-11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H2,20,21,26)
InChIKeySTTXCETYDRXLKQ-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.24
Rot. Bonds6

About 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea

1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea (PubChem CID 2212017) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
PubChem CID2212017
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Name1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
SMILESO=S(=O)(c1ccc(NC(=S)NCCc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C19H23N3O3S2/c23-27(24,22-12-14-25-15-13-22)18-8-6-17(7-9-18)21-19(26)20-11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H2,20,21,26)
InChIKeySTTXCETYDRXLKQ-UHFFFAOYSA-N
XLogP2.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 19680416
1-[2-(3-chlorophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271580
1-(3,3-diphenylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 3601294
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1014410
1-[2-(2-methoxyphenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271573
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N'-(4-chlorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127021
N'-(4-bromophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127095
1-(3-morpholin-4-ylpropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 8624491
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
phenyl N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]carbamate
CID 108736618
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea (CID 2212017) is 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea is O=S(=O)(c1ccc(NC(=S)NCCc2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea?
The InChIKey is STTXCETYDRXLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c23-27(24,22-12-14-25-15-13-22)18-8-6-17(7-9-18)21-19(26)20-11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H2,20,21,26).
What are the key properties of 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea?
1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea has a molecular weight of 405.55 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 2212017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).