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

C23H25N3O4S2 — CID 42992972

IUPAC1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
SMILESCOc1ccc(CNC(=S)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-16-8-11-18(25-23(31)24-15-17-9-12-19(29-2)13-10-17)14-22(16)32(27,28)26-20-6-4-5-7-21(20)30-3/h4-14,26H,15H2,1-3H3,(H2,24,25,31)
InChIKeyAGIZMBIHJUWZAH-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.30
Rot. Bonds8

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

1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea (PubChem CID 42992972) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
PubChem CID42992972
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
SMILESCOc1ccc(CNC(=S)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-16-8-11-18(25-23(31)24-15-17-9-12-19(29-2)13-10-17)14-22(16)32(27,28)26-20-6-4-5-7-21(20)30-3/h4-14,26H,15H2,1-3H3,(H2,24,25,31)
InChIKeyAGIZMBIHJUWZAH-UHFFFAOYSA-N
XLogP4.30
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.30
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-cyclopropyl-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 7942694
1-benzyl-3-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047925
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678993
2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642606
N-[(4-methoxyphenyl)methyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2234266
1-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(3-fluoro-4-methylphenyl)thiourea
CID 24501778
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 24642708
(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
CID 41083072
1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679043

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea (CID 42992972) is 1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea is COc1ccc(CNC(=S)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea?
The InChIKey is AGIZMBIHJUWZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-16-8-11-18(25-23(31)24-15-17-9-12-19(29-2)13-10-17)14-22(16)32(27,28)26-20-6-4-5-7-21(20)30-3/h4-14,26H,15H2,1-3H3,(H2,24,25,31).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea?
1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea has a molecular weight of 471.60 g/mol, XLogP of 4.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea is sourced from PubChem (CID 42992972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).