N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

C25H25N3O6S — CID 24531599

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)C(C)Oc3ccccc32)c1
InChIInChI=1S/C25H25N3O6S/c1-17-25(30)28(21-11-4-6-13-23(21)34-17)15-14-24(29)26-18-8-7-9-19(16-18)35(31,32)27-20-10-3-5-12-22(20)33-2/h3-13,16-17,27H,14-15H2,1-2H3,(H,26,29)
InChIKeyOKNGFKVNMUUAMG-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.64
Rot. Bonds8

About N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 24531599) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID24531599
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)C(C)Oc3ccccc32)c1
InChIInChI=1S/C25H25N3O6S/c1-17-25(30)28(21-11-4-6-13-23(21)34-17)15-14-24(29)26-18-8-7-9-19(16-18)35(31,32)27-20-10-3-5-12-22(20)33-2/h3-13,16-17,27H,14-15H2,1-2H3,(H,26,29)
InChIKeyOKNGFKVNMUUAMG-UHFFFAOYSA-N
XLogP3.64
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(3-chloro-4-methylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
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3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]propanamide
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N-(2-cyclopentylsulfanylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
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N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
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3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]propanamide
CID 98405272
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 24531599) is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)C(C)Oc3ccccc32)c1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is OKNGFKVNMUUAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6S/c1-17-25(30)28(21-11-4-6-13-23(21)34-17)15-14-24(29)26-18-8-7-9-19(16-18)35(31,32)27-20-10-3-5-12-22(20)33-2/h3-13,16-17,27H,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 495.56 g/mol, XLogP of 3.64, 8 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]phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 24531599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).