N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide

C23H19N3O5S — CID 176906776

IUPACN-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide
SMILESCC1c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)N1Cc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C23H19N3O5S/c1-14-18-9-8-16(25-32(29,30)17-5-3-2-4-6-17)12-19(18)22(27)26(14)13-15-7-10-20-21(11-15)31-23(28)24-20/h2-12,14,25H,13H2,1H3,(H,24,28)
InChIKeyIPFNMAKAWOJLPE-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.64
Rot. Bonds5

About N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide

N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide (PubChem CID 176906776) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide
PubChem CID176906776
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC NameN-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide
SMILESCC1c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)N1Cc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C23H19N3O5S/c1-14-18-9-8-16(25-32(29,30)17-5-3-2-4-6-17)12-19(18)22(27)26(14)13-15-7-10-20-21(11-15)31-23(28)24-20/h2-12,14,25H,13H2,1H3,(H,24,28)
InChIKeyIPFNMAKAWOJLPE-UHFFFAOYSA-N
XLogP3.64
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide 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

6-[[(1S)-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 176906727
N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide
CID 176906825
6-[(1-cyclopropyl-3-oxo-1H-isoindol-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 176906814
6-[[1-[(2-methyl-4-pyridinyl)methyl]-3-oxo-1H-isoindol-2-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 176907081
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 155962881
6-[[3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-1-yl]methyl]pyridine-2-carbonitrile
CID 176906802
6-[(1-benzyl-6-morpholin-4-yl-3-oxo-1H-isoindol-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 177251399
6-[[7-[(2-methylphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 176907250
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648168
2-[[(1R)-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-1-yl]methyl]pyridine-3-carbonitrile
CID 176906669

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide?
The IUPAC name of N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide (CID 176906776) is N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide is CC1c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)N1Cc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide?
The InChIKey is IPFNMAKAWOJLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-14-18-9-8-16(25-32(29,30)17-5-3-2-4-6-17)12-19(18)22(27)26(14)13-15-7-10-20-21(11-15)31-23(28)24-20/h2-12,14,25H,13H2,1H3,(H,24,28).
What are the key properties of N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide?
N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide has a molecular weight of 449.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide is sourced from PubChem (CID 176906776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).