3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide

C24H25N3O5S2 — CID 89089806

IUPAC3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cc(C)c(C)c(OC)c3)cc2)cc1
InChIInChI=1S/C24H25N3O5S2/c1-15-13-17(14-22(32-4)16(15)2)23(28)26-24(33)25-18-7-11-21(12-8-18)34(29,30)27-19-5-9-20(31-3)10-6-19/h5-14,27H,1-4H3,(H2,25,26,28,33)
InChIKeyBLRTWNDJAXLRMS-UHFFFAOYSA-N
MW499.61 g/mol
LogP4.25
Rot. Bonds7

About 3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide

3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide (PubChem CID 89089806) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide
PubChem CID89089806
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC Name3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cc(C)c(C)c(OC)c3)cc2)cc1
InChIInChI=1S/C24H25N3O5S2/c1-15-13-17(14-22(32-4)16(15)2)23(28)26-24(33)25-18-7-11-21(12-8-18)34(29,30)27-19-5-9-20(31-3)10-6-19/h5-14,27H,1-4H3,(H2,25,26,28,33)
InChIKeyBLRTWNDJAXLRMS-UHFFFAOYSA-N
XLogP4.25
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17094436
3-methoxy-4,5-dimethyl-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 89089777
3-bromo-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 17339575
5-bromo-2-(2-methoxyethoxy)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17357443
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17353780
3-(3,4-dimethoxyphenyl)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 4659269
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
3,4,5-trimethoxy-N-[[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 2396638
3,5-dichloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 89096264
3-bromo-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hydroxybenzamide
CID 118357440
N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953011

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide?
The IUPAC name of 3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide (CID 89089806) is 3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide.
What is the SMILES notation for 3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide?
The canonical SMILES for 3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cc(C)c(C)c(OC)c3)cc2)cc1.
What is the InChIKey of 3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide?
The InChIKey is BLRTWNDJAXLRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c1-15-13-17(14-22(32-4)16(15)2)23(28)26-24(33)25-18-7-11-21(12-8-18)34(29,30)27-19-5-9-20(31-3)10-6-19/h5-14,27H,1-4H3,(H2,25,26,28,33).
What are the key properties of 3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide?
3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide has a molecular weight of 499.61 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4,5-dimethylbenzamide is sourced from PubChem (CID 89089806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).