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

C17H19N3O3S2 — CID 1011325

IUPAC1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea
SMILESO=S(=O)(c1ccc(NC(=S)Nc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C17H19N3O3S2/c21-25(22,20-10-12-23-13-11-20)16-8-6-15(7-9-16)19-17(24)18-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,18,19,24)
InChIKeyKBXPTEYOLUABIQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.52
Rot. Bonds4

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

1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea (PubChem CID 1011325) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea
PubChem CID1011325
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea
SMILESO=S(=O)(c1ccc(NC(=S)Nc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C17H19N3O3S2/c21-25(22,20-10-12-23-13-11-20)16-8-6-15(7-9-16)19-17(24)18-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,18,19,24)
InChIKeyKBXPTEYOLUABIQ-UHFFFAOYSA-N
XLogP2.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.52
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-Phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 3421033
4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
CID 805196
4-[(anilinocarbonothioyl)amino]-N,N-diethylbenzenesulfonamide
CID 1011535
1-[3-[(2-Fluorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 3499709
1-[2-(Diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
CID 5075583
N-phenyl-N'-[4-(1-piperidinylsulfonyl)phenyl]urea
CID 1011581
N1-[4-(piperidinosulfonyl)phenyl]-3-methylpiperidine-1-carbothioamide
CID 2803140
1-Cyclohexyl-3-(4-sulfamoylphenyl)thiourea
CID 892446
N-({[4-(4-morpholinylsulfonyl)phenyl]amino}carbonothioyl)-3-phenylpropanamide
CID 1014410
N-Phenyl-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 45555989
N,N-dimethyl-N'-[4-(piperidinosulfonyl)phenyl]thiourea
CID 2731113
4-hydroxy-N-(4-sulfamoylphenyl)piperidine-1-carbothioamide
CID 943362

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea?
The IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea (CID 1011325) is 1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea is O=S(=O)(c1ccc(NC(=S)Nc2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea?
The InChIKey is KBXPTEYOLUABIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c21-25(22,20-10-12-23-13-11-20)16-8-6-15(7-9-16)19-17(24)18-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,18,19,24).
What are the key properties of 1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea?
1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea has a molecular weight of 377.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylthiourea is sourced from PubChem (CID 1011325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).