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

C21H21N3O4S2 — CID 19678993

IUPAC1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-27-17-11-7-15(8-12-17)22-21(29)23-16-9-13-18(14-10-16)30(25,26)24-19-5-3-4-6-20(19)28-2/h3-14,24H,1-2H3,(H2,22,23,29)
InChIKeyYCUCEDQRNYTOAM-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.31
Rot. Bonds7

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

1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea (PubChem CID 19678993) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
PubChem CID19678993
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC Name1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-27-17-11-7-15(8-12-17)22-21(29)23-16-9-13-18(14-10-16)30(25,26)24-19-5-3-4-6-20(19)28-2/h3-14,24H,1-2H3,(H2,22,23,29)
InChIKeyYCUCEDQRNYTOAM-UHFFFAOYSA-N
XLogP4.31
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679035
1-(4-butan-2-ylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679001
1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679043
1-(2,5-dimethylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679014
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea
CID 19678627
1-(4-fluorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047618
1-(2-methoxyphenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 25046157
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
1-(4-chlorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047087

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea (CID 19678993) is 1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea is COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The InChIKey is YCUCEDQRNYTOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-27-17-11-7-15(8-12-17)22-21(29)23-16-9-13-18(14-10-16)30(25,26)24-19-5-3-4-6-20(19)28-2/h3-14,24H,1-2H3,(H2,22,23,29).
What are the key properties of 1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea has a molecular weight of 443.55 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea is sourced from PubChem (CID 19678993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).