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

C16H19N3O4S2 — CID 25044379

IUPAC1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
SMILESCNC(=S)Nc1ccc(OC)cc1S(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O4S2/c1-17-16(24)18-14-9-8-13(23-3)10-15(14)25(20,21)19-11-4-6-12(22-2)7-5-11/h4-10,19H,1-3H3,(H2,17,18,24)
InChIKeyQZAIDKQKUCMHDU-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.42
Rot. Bonds6

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

1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea (PubChem CID 25044379) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
PubChem CID25044379
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
SMILESCNC(=S)Nc1ccc(OC)cc1S(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O4S2/c1-17-16(24)18-14-9-8-13(23-3)10-15(14)25(20,21)19-11-4-6-12(22-2)7-5-11/h4-10,19H,1-3H3,(H2,17,18,24)
InChIKeyQZAIDKQKUCMHDU-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-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 25043502
1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea
CID 25035110
1-benzyl-3-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047925
1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 25037283
1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea
CID 25039010
1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea
CID 25046526
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
1-(4-chlorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047087
1-(4-fluorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047618
1-[2-[(4-iodophenyl)sulfamoyl]-4-methylphenyl]-3-(4-phenoxyphenyl)thiourea
CID 25047088
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea?
The IUPAC name of 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea (CID 25044379) is 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea.
What is the SMILES notation for 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea?
The canonical SMILES for 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea is CNC(=S)Nc1ccc(OC)cc1S(=O)(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea?
The InChIKey is QZAIDKQKUCMHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-17-16(24)18-14-9-8-13(23-3)10-15(14)25(20,21)19-11-4-6-12(22-2)7-5-11/h4-10,19H,1-3H3,(H2,17,18,24).
What are the key properties of 1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea?
1-[4-methoxy-2-[(4-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-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea is sourced from PubChem (CID 25044379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).