N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide

C18H18N2O4S — CID 110619936

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc21
InChIInChI=1S/C18H18N2O4S/c1-18(2)14-10-12(7-8-15(14)20-17(18)22)19-16(21)11-5-4-6-13(9-11)25(3,23)24/h4-10H,1-3H3,(H,19,21)(H,20,22)
InChIKeyOIBFZTIYCQRTFA-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.57
Rot. Bonds3

About N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide (PubChem CID 110619936) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide
PubChem CID110619936
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc21
InChIInChI=1S/C18H18N2O4S/c1-18(2)14-10-12(7-8-15(14)20-17(18)22)19-16(21)11-5-4-6-13(9-11)25(3,23)24/h4-10H,1-3H3,(H,19,21)(H,20,22)
InChIKeyOIBFZTIYCQRTFA-UHFFFAOYSA-N
XLogP2.57
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)benzamide
CID 110405719
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 14856608
3,3-dimethyl-2-oxo-N-phenyl-1H-indole-6-carboxamide
CID 14624056
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)pyrazine-2-carboxamide
CID 110667759
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide
CID 143951852
N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 27335225
N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
CID 33099883

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide (CID 110619936) is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide is CC1(C)C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc21.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide?
The InChIKey is OIBFZTIYCQRTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-18(2)14-10-12(7-8-15(14)20-17(18)22)19-16(21)11-5-4-6-13(9-11)25(3,23)24/h4-10H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide?
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide has a molecular weight of 358.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 110619936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).