N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide

C25H27N3O5S — CID 4869084

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1N1CCOCC1
InChIInChI=1S/C25H27N3O5S/c1-18-7-3-4-8-20(18)25(29)26-19-11-12-22(28-13-15-33-16-14-28)24(17-19)34(30,31)27-21-9-5-6-10-23(21)32-2/h3-12,17,27H,13-16H2,1-2H3,(H,26,29)
InChIKeyJJOPBSQQDMRVAW-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.89
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide (PubChem CID 4869084) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide
PubChem CID4869084
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1N1CCOCC1
InChIInChI=1S/C25H27N3O5S/c1-18-7-3-4-8-20(18)25(29)26-19-11-12-22(28-13-15-33-16-14-28)24(17-19)34(30,31)27-21-9-5-6-10-23(21)32-2/h3-12,17,27H,13-16H2,1-2H3,(H,26,29)
InChIKeyJJOPBSQQDMRVAW-UHFFFAOYSA-N
XLogP3.89
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide (CID 4869084) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1N1CCOCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide?
The InChIKey is JJOPBSQQDMRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-18-7-3-4-8-20(18)25(29)26-19-11-12-22(28-13-15-33-16-14-28)24(17-19)34(30,31)27-21-9-5-6-10-23(21)32-2/h3-12,17,27H,13-16H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide has a molecular weight of 481.57 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylbenzamide is sourced from PubChem (CID 4869084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).