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

C19H23N3O4S2 — CID 2457185

IUPAC1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccccc2C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H23N3O4S2/c1-14-5-3-4-6-16(14)20-19(27)21-17-8-7-15(25-2)13-18(17)28(23,24)22-9-11-26-12-10-22/h3-8,13H,9-12H2,1-2H3,(H2,20,21,27)
InChIKeyUIGGGJWEYPTVPQ-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.83
Rot. Bonds5

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

1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea (PubChem CID 2457185) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea
PubChem CID2457185
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Name1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccccc2C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H23N3O4S2/c1-14-5-3-4-6-16(14)20-19(27)21-17-8-7-15(25-2)13-18(17)28(23,24)22-9-11-26-12-10-22/h3-8,13H,9-12H2,1-2H3,(H2,20,21,27)
InChIKeyUIGGGJWEYPTVPQ-UHFFFAOYSA-N
XLogP2.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.83
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-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea
CID 23884042
1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 23963884
1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea
CID 19678122
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea
CID 2488318
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5084540
1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 25035866
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
1-(4-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 53489000
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623393
4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine
CID 71671443
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea (CID 2457185) is 1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea is COc1ccc(NC(=S)Nc2ccccc2C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea?
The InChIKey is UIGGGJWEYPTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-14-5-3-4-6-16(14)20-19(27)21-17-8-7-15(25-2)13-18(17)28(23,24)22-9-11-26-12-10-22/h3-8,13H,9-12H2,1-2H3,(H2,20,21,27).
What are the key properties of 1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea?
1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea has a molecular weight of 421.54 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 2457185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).