N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

C18H30N4O4S — CID 10408583

IUPACN-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCOCCN1CCc2c(C)c(NS(N)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C18H30N4O4S/c1-11-13-7-8-22(9-10-26-6)16(13)15(20-17(23)18(3,4)5)12(2)14(11)21-27(19,24)25/h21H,7-10H2,1-6H3,(H,20,23)(H2,19,24,25)
InChIKeyVQTJRGYRNQUYOH-UHFFFAOYSA-N
MW398.53 g/mol
LogP1.91
Rot. Bonds6

About N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 10408583) has the molecular formula C18H30N4O4S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID10408583
Molecular FormulaC18H30N4O4S
Molecular Weight398.53 g/mol
Exact Mass398.20
IUPAC NameN-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCOCCN1CCc2c(C)c(NS(N)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C18H30N4O4S/c1-11-13-7-8-22(9-10-26-6)16(13)15(20-17(23)18(3,4)5)12(2)14(11)21-27(19,24)25/h21H,7-10H2,1-6H3,(H,20,23)(H2,19,24,25)
InChIKeyVQTJRGYRNQUYOH-UHFFFAOYSA-N
XLogP1.91
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 10408583) is N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is COCCN1CCc2c(C)c(NS(N)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21.
What is the InChIKey of N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is VQTJRGYRNQUYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4S/c1-11-13-7-8-22(9-10-26-6)16(13)15(20-17(23)18(3,4)5)12(2)14(11)21-27(19,24)25/h21H,7-10H2,1-6H3,(H,20,23)(H2,19,24,25).
What are the key properties of N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 398.53 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10408583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).