1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea

C18H20FN3O4S2 — CID 23884042

IUPAC1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(F)cc2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20FN3O4S2/c1-25-15-6-7-16(21-18(27)20-14-4-2-13(19)3-5-14)17(12-15)28(23,24)22-8-10-26-11-9-22/h2-7,12H,8-11H2,1H3,(H2,20,21,27)
InChIKeyIXJBOIHLNLWNFB-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.66
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea

1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea (PubChem CID 23884042) has the molecular formula C18H20FN3O4S2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea
PubChem CID23884042
Molecular FormulaC18H20FN3O4S2
Molecular Weight425.51 g/mol
Exact Mass425.09
IUPAC Name1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(F)cc2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20FN3O4S2/c1-25-15-6-7-16(21-18(27)20-14-4-2-13(19)3-5-14)17(12-15)28(23,24)22-8-10-26-11-9-22/h2-7,12H,8-11H2,1H3,(H2,20,21,27)
InChIKeyIXJBOIHLNLWNFB-UHFFFAOYSA-N
XLogP2.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea
CID 2457185
1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea
CID 2488318
1-(4-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 53489000
1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 23963884
1-(2,5-difluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271641
1-[(4-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271569
1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 25035866
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
1-(4-methoxyphenyl)-3-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiourea
CID 1176488
1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea
CID 25035110
2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4885170
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea (CID 23884042) is 1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea is COc1ccc(NC(=S)Nc2ccc(F)cc2)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea?
The InChIKey is IXJBOIHLNLWNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S2/c1-25-15-6-7-16(21-18(27)20-14-4-2-13(19)3-5-14)17(12-15)28(23,24)22-8-10-26-11-9-22/h2-7,12H,8-11H2,1H3,(H2,20,21,27).
What are the key properties of 1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea?
1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea has a molecular weight of 425.51 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea is sourced from PubChem (CID 23884042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).