1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one

C14H21N3O3S — CID 125499834

IUPAC1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one
SMILESCCNS(=O)(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2CC
InChIInChI=1S/C14H21N3O3S/c1-5-15-21(19,20)16-10-7-8-12-11(9-10)14(3,4)13(18)17(12)6-2/h7-9,15-16H,5-6H2,1-4H3
InChIKeyPANJJSBFSRQIBF-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.60
Rot. Bonds5

About 1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one

1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one (PubChem CID 125499834) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one
PubChem CID125499834
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one
SMILESCCNS(=O)(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2CC
InChIInChI=1S/C14H21N3O3S/c1-5-15-21(19,20)16-10-7-8-12-11(9-10)14(3,4)13(18)17(12)6-2/h7-9,15-16H,5-6H2,1-4H3
InChIKeyPANJJSBFSRQIBF-UHFFFAOYSA-N
XLogP1.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one?
The IUPAC name of 1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one (CID 125499834) is 1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one?
The canonical SMILES for 1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one is CCNS(=O)(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2CC.
What is the InChIKey of 1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one?
The InChIKey is PANJJSBFSRQIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-5-15-21(19,20)16-10-7-8-12-11(9-10)14(3,4)13(18)17(12)6-2/h7-9,15-16H,5-6H2,1-4H3.
What are the key properties of 1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one?
1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one has a molecular weight of 311.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one is sourced from PubChem (CID 125499834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).