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

C18H17N3O5S — CID 176906825

IUPACN-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide
SMILESCC1c2cc(NS(C)(=O)=O)ccc2C(=O)N1Cc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C18H17N3O5S/c1-10-14-8-12(20-27(2,24)25)4-5-13(14)17(22)21(10)9-11-3-6-15-16(7-11)26-18(23)19-15/h3-8,10,20H,9H2,1-2H3,(H,19,23)
InChIKeyWJUQYJBNHBJPFS-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.21
Rot. Bonds4

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

N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide (PubChem CID 176906825) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide
PubChem CID176906825
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC NameN-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide
SMILESCC1c2cc(NS(C)(=O)=O)ccc2C(=O)N1Cc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C18H17N3O5S/c1-10-14-8-12(20-27(2,24)25)4-5-13(14)17(22)21(10)9-11-3-6-15-16(7-11)26-18(23)19-15/h3-8,10,20H,9H2,1-2H3,(H,19,23)
InChIKeyWJUQYJBNHBJPFS-UHFFFAOYSA-N
XLogP2.21
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[1-methyl-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-5-yl]benzenesulfonamide
CID 176906776
6-[[(1S)-1-methyl-3-oxo-1H-isoindol-2-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 176906727
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
6-[(1-benzyl-6-morpholin-4-yl-3-oxo-1H-isoindol-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 177251399
6-[[3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-1-yl]methyl]pyridine-2-carbonitrile
CID 176906802
2-[[(1R)-3-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-1H-isoindol-1-yl]methyl]pyridine-3-carbonitrile
CID 176906669
6-[[7-[(2-methylphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 176907250
3,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,2-oxazole-4-sulfonamide
CID 50796746
6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 82491853
2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346354
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648168

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide?
The IUPAC name of N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide (CID 176906825) is N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide?
The canonical SMILES for N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide is CC1c2cc(NS(C)(=O)=O)ccc2C(=O)N1Cc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide?
The InChIKey is WJUQYJBNHBJPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-10-14-8-12(20-27(2,24)25)4-5-13(14)17(22)21(10)9-11-3-6-15-16(7-11)26-18(23)19-15/h3-8,10,20H,9H2,1-2H3,(H,19,23).
What are the key properties of N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide?
N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-isoindol-5-yl]methanesulfonamide is sourced from PubChem (CID 176906825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).