2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide

C18H17N3O5S — CID 110406150

IUPAC2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESCC(C)C1C(=O)Nc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc21
InChIInChI=1S/C18H17N3O5S/c1-9(2)16-12-7-10(3-5-13(12)19-17(16)22)21-27(24,25)11-4-6-14-15(8-11)26-18(23)20-14/h3-9,16,21H,1-2H3,(H,19,22)(H,20,23)
InChIKeyICEJBHDEPWXGJV-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.61
Rot. Bonds4

About 2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide

2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110406150) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110406150
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESCC(C)C1C(=O)Nc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc21
InChIInChI=1S/C18H17N3O5S/c1-9(2)16-12-7-10(3-5-13(12)19-17(16)22)21-27(24,25)11-4-6-14-15(8-11)26-18(23)20-14/h3-9,16,21H,1-2H3,(H,19,22)(H,20,23)
InChIKeyICEJBHDEPWXGJV-UHFFFAOYSA-N
XLogP2.61
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 25326023
4-methoxy-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110406127
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 134055659
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648168
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375430
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110406161
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 35547980
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 55735768

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide (CID 110406150) is 2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide is CC(C)C1C(=O)Nc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc21.
What is the InChIKey of 2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ICEJBHDEPWXGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-9(2)16-12-7-10(3-5-13(12)19-17(16)22)21-27(24,25)11-4-6-14-15(8-11)26-18(23)20-14/h3-9,16,21H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide?
2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 387.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110406150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).