1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea

C20H26N4O4S2 — CID 3559514

IUPAC1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=S)NCCN2CCOCC2)c1
InChIInChI=1S/C20H26N4O4S2/c1-27-19-8-3-2-7-18(19)23-30(25,26)17-6-4-5-16(15-17)22-20(29)21-9-10-24-11-13-28-14-12-24/h2-8,15,23H,9-14H2,1H3,(H2,21,22,29)
InChIKeyYRNDZBJRMBHXSJ-UHFFFAOYSA-N
MW450.59 g/mol
LogP2.11
Rot. Bonds8

About 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea

1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 3559514) has the molecular formula C20H26N4O4S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID3559514
Molecular FormulaC20H26N4O4S2
Molecular Weight450.59 g/mol
Exact Mass450.14
IUPAC Name1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=S)NCCN2CCOCC2)c1
InChIInChI=1S/C20H26N4O4S2/c1-27-19-8-3-2-7-18(19)23-30(25,26)17-6-4-5-16(15-17)22-20(29)21-9-10-24-11-13-28-14-12-24/h2-8,15,23H,9-14H2,1H3,(H2,21,22,29)
InChIKeyYRNDZBJRMBHXSJ-UHFFFAOYSA-N
XLogP2.11
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea (CID 3559514) is 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea is COc1ccccc1NS(=O)(=O)c1cccc(NC(=S)NCCN2CCOCC2)c1.
What is the InChIKey of 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is YRNDZBJRMBHXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S2/c1-27-19-8-3-2-7-18(19)23-30(25,26)17-6-4-5-16(15-17)22-20(29)21-9-10-24-11-13-28-14-12-24/h2-8,15,23H,9-14H2,1H3,(H2,21,22,29).
What are the key properties of 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 450.59 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 3559514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).