4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

C25H27N3O6S — CID 55960480

IUPAC4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C25H27N3O6S/c1-17-4-9-20(10-5-17)28-35(31,32)23-16-19(8-13-22(23)34-3)25(30)27-15-14-26-24(29)18-6-11-21(33-2)12-7-18/h4-13,16,28H,14-15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyRUWXKDHSSVKAQT-UHFFFAOYSA-N
MW497.57 g/mol
LogP2.97
Rot. Bonds10

About 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 55960480) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID55960480
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C25H27N3O6S/c1-17-4-9-20(10-5-17)28-35(31,32)23-16-19(8-13-22(23)34-3)25(30)27-15-14-26-24(29)18-6-11-21(33-2)12-7-18/h4-13,16,28H,14-15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyRUWXKDHSSVKAQT-UHFFFAOYSA-N
XLogP2.97
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 3585915
N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55976917
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17481816
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 55960480) is 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccc(C(=O)NCCNC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is RUWXKDHSSVKAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-17-4-9-20(10-5-17)28-35(31,32)23-16-19(8-13-22(23)34-3)25(30)27-15-14-26-24(29)18-6-11-21(33-2)12-7-18/h4-13,16,28H,14-15H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 497.57 g/mol, XLogP of 2.97, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55960480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).