N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

C20H24N2O4S — CID 24993853

IUPACN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)C(C)(C)C)c32)cc1
InChIInChI=1S/C20H24N2O4S/c1-20(2,3)19(23)21-17-7-5-6-14-12-13-22(18(14)17)27(24,25)16-10-8-15(26-4)9-11-16/h5-11H,12-13H2,1-4H3,(H,21,23)
InChIKeyCPDPCKYIRWPWKH-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.43
Rot. Bonds4

About N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 24993853) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID24993853
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)C(C)(C)C)c32)cc1
InChIInChI=1S/C20H24N2O4S/c1-20(2,3)19(23)21-17-7-5-6-14-12-13-22(18(14)17)27(24,25)16-10-8-15(26-4)9-11-16/h5-11H,12-13H2,1-4H3,(H,21,23)
InChIKeyCPDPCKYIRWPWKH-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 24993853) is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is COc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)C(C)(C)C)c32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is CPDPCKYIRWPWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-20(2,3)19(23)21-17-7-5-6-14-12-13-22(18(14)17)27(24,25)16-10-8-15(26-4)9-11-16/h5-11H,12-13H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 388.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24993853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).