5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide

C24H33N3O5S2 — CID 18474351

IUPAC5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide
SMILESCNC(=S)NS(=O)(=O)c1cc(CC(C)NC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC
InChIInChI=1S/C24H33N3O5S2/c1-15(26-22(28)18-14-17(24(2,3)4)9-11-19(18)31-6)12-16-8-10-20(32-7)21(13-16)34(29,30)27-23(33)25-5/h8-11,13-15H,12H2,1-7H3,(H,26,28)(H2,25,27,33)
InChIKeyKCSKDWXQGWOZIR-UHFFFAOYSA-N
MW507.68 g/mol
LogP3.14
Rot. Bonds8

About 5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide

5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide (PubChem CID 18474351) has the molecular formula C24H33N3O5S2 and a molecular weight of 507.68 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide
PubChem CID18474351
Molecular FormulaC24H33N3O5S2
Molecular Weight507.68 g/mol
Exact Mass507.19
IUPAC Name5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide
SMILESCNC(=S)NS(=O)(=O)c1cc(CC(C)NC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC
InChIInChI=1S/C24H33N3O5S2/c1-15(26-22(28)18-14-17(24(2,3)4)9-11-19(18)31-6)12-16-8-10-20(32-7)21(13-16)34(29,30)27-23(33)25-5/h8-11,13-15H,12H2,1-7H3,(H,26,28)(H2,25,27,33)
InChIKeyKCSKDWXQGWOZIR-UHFFFAOYSA-N
XLogP3.14
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.68
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;5-chloro-2-methoxy-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]benzamide;hydride
CID 173125954
sodium (5-chloro-2-methoxybenzoyl)-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]azanide
CID 23697157
5-chloro-2-methoxy-N-[2-[3-(methylcarbamothioylsulfamoyl)-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide
CID 23553792
2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide
CID 19971088
N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide
CID 22837083
N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
N-[(2S)-heptan-2-yl]-1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 154525310
N-[2-(furan-2-yl)propan-2-yl]-2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]acetamide
CID 19971226
2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 15020216
2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 15390628
5-ethyl-2-methoxy-N-propan-2-ylbenzamide
CID 110761959
2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide
CID 19971234

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide?
The IUPAC name of 5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide (CID 18474351) is 5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide?
The canonical SMILES for 5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide is CNC(=S)NS(=O)(=O)c1cc(CC(C)NC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC.
What is the InChIKey of 5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide?
The InChIKey is KCSKDWXQGWOZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S2/c1-15(26-22(28)18-14-17(24(2,3)4)9-11-19(18)31-6)12-16-8-10-20(32-7)21(13-16)34(29,30)27-23(33)25-5/h8-11,13-15H,12H2,1-7H3,(H,26,28)(H2,25,27,33).
What are the key properties of 5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide?
5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide has a molecular weight of 507.68 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide is sourced from PubChem (CID 18474351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).