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

C19H23N3O3S2 — CID 19680416

IUPAC1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
SMILESO=S(=O)(c1cccc(NC(=S)NCCc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C19H23N3O3S2/c23-27(24,22-11-13-25-14-12-22)18-8-4-7-17(15-18)21-19(26)20-10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H2,20,21,26)
InChIKeyVCAZFIBYMXMRCR-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.24
Rot. Bonds6

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

1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea (PubChem CID 19680416) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
PubChem CID19680416
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Name1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
SMILESO=S(=O)(c1cccc(NC(=S)NCCc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C19H23N3O3S2/c23-27(24,22-11-13-25-14-12-22)18-8-4-7-17(15-18)21-19(26)20-10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H2,20,21,26)
InChIKeyVCAZFIBYMXMRCR-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-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 2212017
1-butyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680401
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
1-[2-(3-chlorophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271580
3-phenyl-N-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide
CID 2962070
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 8874279
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)urea
CID 108888055
1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680377
1-(3,3-diphenylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 3601294
1-[4-[(2R)-butan-2-yl]phenyl]-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 27087813
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1014410

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea (CID 19680416) is 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea is O=S(=O)(c1cccc(NC(=S)NCCc2ccccc2)c1)N1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea?
The InChIKey is VCAZFIBYMXMRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c23-27(24,22-11-13-25-14-12-22)18-8-4-7-17(15-18)21-19(26)20-10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H2,20,21,26).
What are the key properties of 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea?
1-(3-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-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 19680416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).