1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea

C16H19N3O4S2 — CID 2955814

IUPAC1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
SMILESO=S(=O)(c1cccc(NC(=S)NCc2ccco2)c1)N1CCOCC1
InChIInChI=1S/C16H19N3O4S2/c20-25(21,19-6-9-22-10-7-19)15-5-1-3-13(11-15)18-16(24)17-12-14-4-2-8-23-14/h1-5,8,11H,6-7,9-10,12H2,(H2,17,18,24)
InChIKeyBBIYWXVURMGJBD-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.79
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea

1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea (PubChem CID 2955814) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
PubChem CID2955814
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
SMILESO=S(=O)(c1cccc(NC(=S)NCc2ccco2)c1)N1CCOCC1
InChIInChI=1S/C16H19N3O4S2/c20-25(21,19-6-9-22-10-7-19)15-5-1-3-13(11-15)18-16(24)17-12-14-4-2-8-23-14/h1-5,8,11H,6-7,9-10,12H2,(H2,17,18,24)
InChIKeyBBIYWXVURMGJBD-UHFFFAOYSA-N
XLogP1.79
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea (CID 2955814) is 1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea is O=S(=O)(c1cccc(NC(=S)NCc2ccco2)c1)N1CCOCC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea?
The InChIKey is BBIYWXVURMGJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c20-25(21,19-6-9-22-10-7-19)15-5-1-3-13(11-15)18-16(24)17-12-14-4-2-8-23-14/h1-5,8,11H,6-7,9-10,12H2,(H2,17,18,24).
What are the key properties of 1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea?
1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea has a molecular weight of 381.48 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea is sourced from PubChem (CID 2955814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).