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

C16H19N3O4S2 — CID 25048446

IUPAC1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
SMILESCNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1OC
InChIInChI=1S/C16H19N3O4S2/c1-17-16(24)18-12-9-8-11(10-15(12)23-3)25(20,21)19-13-6-4-5-7-14(13)22-2/h4-10,19H,1-3H3,(H2,17,18,24)
InChIKeySMVQHNXOODPWCZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.42
Rot. Bonds6

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

1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea (PubChem CID 25048446) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
PubChem CID25048446
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
SMILESCNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1OC
InChIInChI=1S/C16H19N3O4S2/c1-17-16(24)18-12-9-8-11(10-15(12)23-3)25(20,21)19-13-6-4-5-7-14(13)22-2/h4-10,19H,1-3H3,(H2,17,18,24)
InChIKeySMVQHNXOODPWCZ-UHFFFAOYSA-N
XLogP2.42
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.42
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-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 25035866
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679035
1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678993
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
1-(2,5-dimethylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679014
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea?
The IUPAC name of 1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea (CID 25048446) is 1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea.
What is the SMILES notation for 1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea?
The canonical SMILES for 1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea is CNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1OC.
What is the InChIKey of 1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea?
The InChIKey is SMVQHNXOODPWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-17-16(24)18-12-9-8-11(10-15(12)23-3)25(20,21)19-13-6-4-5-7-14(13)22-2/h4-10,19H,1-3H3,(H2,17,18,24).
What are the key properties of 1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea?
1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea has a molecular weight of 381.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea is sourced from PubChem (CID 25048446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).