1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea

C19H23N3O3S2 — CID 23880704

IUPAC1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
SMILESCCN(C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C19H23N3O3S2/c1-2-22(17-6-4-3-5-7-17)19(26)20-16-8-10-18(11-9-16)27(23,24)21-12-14-25-15-13-21/h3-11H,2,12-15H2,1H3,(H,20,26)
InChIKeyQLHZUEFCXDNVDY-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.93
Rot. Bonds5

About 1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea

1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea (PubChem CID 23880704) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea.

Molecular Properties

Compound Name1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
PubChem CID23880704
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Name1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
SMILESCCN(C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C19H23N3O3S2/c1-2-22(17-6-4-3-5-7-17)19(26)20-16-8-10-18(11-9-16)27(23,24)21-12-14-25-15-13-21/h3-11H,2,12-15H2,1H3,(H,20,26)
InChIKeyQLHZUEFCXDNVDY-UHFFFAOYSA-N
XLogP2.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
CID 23940437
1-(2-cyanoethyl)-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
CID 23936637
3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-1-propan-2-ylthiourea
CID 2421734
1-(2-hydroxyethyl)-1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 23993998
3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea
CID 3942094
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 2212017
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
1-(3,3-diphenylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 3601294
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea?
The IUPAC name of 1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea (CID 23880704) is 1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea.
What is the SMILES notation for 1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea?
The canonical SMILES for 1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea is CCN(C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea?
The InChIKey is QLHZUEFCXDNVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-2-22(17-6-4-3-5-7-17)19(26)20-16-8-10-18(11-9-16)27(23,24)21-12-14-25-15-13-21/h3-11H,2,12-15H2,1H3,(H,20,26).
What are the key properties of 1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea?
1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea has a molecular weight of 405.55 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea is sourced from PubChem (CID 23880704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).